NMR Chemical Shift Reference
Search 1H and 13C NMR chemical shift ranges by functional group or ppm, plus residual solvent and water peaks, impurity shifts and coupling constants.
A proton NMR chemical shift table lists typical 1H δ ranges in ppm relative to TMS: alkyl C–H 0.8–1.7, H next to C=O 2.0–2.6, H on carbon bonded to O 3.2–4.7, alkene 4.6–6.5, aromatic 6.5–8.5, aldehyde 9.4–10.5 and carboxylic acid O–H 10–12 ppm.
Use the NMR Chemical Shift Reference
A number matches ranges within ±0.05 ppm on the ¹H tab and ±1 ppm on the ¹³C tab.
¹H NMR Chemical Shift Table
Typical proton δ ranges relative to TMS, mostly in CDCl₃. * = exchangeable proton (broad, solvent-dependent, lost on D₂O shake).
| Group | Environment | δ min (ppm) | δ max (ppm) | Typical δ |
|---|---|---|---|---|
| Alkane | CH₄ (methane) | 0.22 | — | 0.22 |
| Alkane | –CH₃ (primary) | 0.80 | 1.00 | 0.90 |
| Alkane | –CH₂– (secondary) | 1.20 | 1.40 | 1.30 |
| Alkane | –CH– (tertiary) | 1.40 | 1.70 | 1.55 |
| Alkane | Cyclopentane –CH₂– | 1.51 | — | 1.51 |
| Alkane | Cyclohexane –CH₂– (ring-flip averaged) | 1.43 | — | 1.43 |
| Alkane | Neopentane –CH₃ | 0.90 | — | 0.90 |
| Alkene | =CH₂ (terminal) | 4.60 | 5.00 | 4.80 |
| Alkene | =CH– (internal) | 5.10 | 5.70 | 5.40 |
| Alkene | Allyl –CH₂– next to C=C | 1.60 | 2.20 | 1.90 |
| Alkene | Vinyl –CH= conjugated | 5.50 | 6.50 | 6.00 |
| Alkyne | ≡C–H (terminal) | 1.80 | 3.10 | 2.45 |
| Alkyne | Propargylic –CH₂– | 2.30 | 2.50 | 2.40 |
| Aromatic | ArH benzene ring proton | 6.50 | 8.50 | 7.50 |
| Aromatic | ArH (electron-rich ring) | 6.50 | 7.20 | 6.85 |
| Aromatic | ArH (electron-poor ring) | 7.50 | 8.50 | 8.00 |
| Aromatic | Benzene C₆H₆ | 7.36 | — | 7.36 |
| Aromatic | ArH (pyridine H-2/H-6) | 8.40 | 8.90 | 8.65 |
| Aromatic | ArH (furan H-2/H-5) | 7.30 | 7.50 | 7.40 |
| Aromatic | ArH (thiophene H-2/H-5) | 7.10 | 7.40 | 7.25 |
| Aromatic | Benzylic –CH₂– (ArCH₂) | 2.20 | 2.50 | 2.35 |
| Aromatic | Benzylic –CH₃ (ArCH₃) | 2.20 | 2.40 | 2.30 |
| Aldehyde | –CHO (aliphatic aldehyde) | 9.40 | 10.00 | 9.70 |
| Aldehyde | –CHO (aromatic aldehyde) | 9.70 | 10.50 | 10.10 |
| Aldehyde | α-CH next to –CHO | 2.00 | 2.50 | 2.25 |
| Ketone | α-CH₃ next to C=O | 2.00 | 2.40 | 2.20 |
| Ketone | α-CH₂ next to C=O | 2.00 | 2.50 | 2.25 |
| Ketone | Cyclopentanone α-CH₂ | 2.20 | 2.60 | 2.40 |
| Ketone | Cyclohexanone α-CH₂ | 2.00 | 2.40 | 2.20 |
| Carboxylic Acid | –COOH O–H * | 10.00 | 12.00 | 11.00 |
| Carboxylic Acid | α-CH₂ next to –COOH | 2.20 | 2.50 | 2.35 |
| Carboxylic Acid | α-CH₃ next to –COOH | 2.10 | 2.40 | 2.25 |
| Ester | –OCH₃ (methyl ester) | 3.50 | 3.80 | 3.65 |
| Ester | –OCH₂– (ethyl ester CH₂) | 4.10 | 4.30 | 4.20 |
| Ester | α-CH₂ next to –COO– | 2.00 | 2.50 | 2.25 |
| Ester | Vinyl ester =CH–O (vinyl acetate) | 7.20 | 7.40 | 7.30 |
| Ester | Formate H–COO– | 8.00 | 8.10 | 8.05 |
| Ether | –OCH₃ (alkyl methyl ether) | 3.20 | 3.40 | 3.30 |
| Ether | ArOCH₃ (aryl methyl ether, anisole) | 3.70 | 3.90 | 3.80 |
| Ether | –OCH₂– (diethyl ether) | 3.40 | 3.60 | 3.50 |
| Ether | –OCH– (secondary ether) | 3.40 | 3.60 | 3.50 |
| Ether | Epoxide –CH–O (oxirane) | 2.40 | 3.10 | 2.75 |
| Alcohol | –CH₂OH (primary) | 3.40 | 4.00 | 3.70 |
| Alcohol | –CHOH– (secondary) | 3.70 | 4.00 | 3.85 |
| Alcohol | O–H aliphatic * | 0.50 | 5.00 | 2.75 |
| Alcohol | O–H (phenol ArOH) * | 4.00 | 12.00 | 8.00 |
| Alcohol | Allylic –CH₂OH | 4.00 | 4.20 | 4.10 |
| Alcohol | Benzylic –CH₂OH | 4.40 | 4.70 | 4.55 |
| Amine / Amide | –NH₂ (primary aliphatic) * | 0.50 | 3.00 | 1.75 |
| Amine / Amide | –NHR (secondary aliphatic) * | 0.50 | 3.00 | 1.75 |
| Amine / Amide | ArNH₂ (aniline type) * | 3.50 | 5.00 | 4.25 |
| Amine / Amide | –CH₂–NR₂ (α to amine N) | 2.20 | 2.60 | 2.40 |
| Amine / Amide | –NHCO– amide N–H * | 5.00 | 9.00 | 7.00 |
| Amine / Amide | N–CH₃ of amide (DMF type) | 2.80 | 3.00 | 2.90 |
| Amine / Amide | –CH=N– (imine proton) | 7.50 | 8.50 | 8.00 |
| Alkyl Halide | –CH₂F (fluoride) | 4.30 | 4.50 | 4.40 |
| Alkyl Halide | –CH₂Cl (chloride) | 3.40 | 3.60 | 3.50 |
| Alkyl Halide | –CH₂Br (bromide) | 3.20 | 3.50 | 3.35 |
| Alkyl Halide | –CH₂I (iodide) | 3.10 | 3.20 | 3.15 |
| Alkyl Halide | ArCH₂Cl (benzyl chloride) | 4.50 | 4.60 | 4.55 |
| Other | –CH₂– next to NO₂ | 4.40 | 4.70 | 4.55 |
| Other | –CH₂– next to CN (nitrile) | 2.30 | 2.40 | 2.35 |
| Other | TMS –Si(CH₃)₄ reference | 0.00 | — | 0.00 |
| Other | –SH thiol * | 1.00 | 4.00 | 2.50 |
| Other | –CH₂– next to S (sulfide) | 2.00 | 2.50 | 2.25 |
| Solvent / Impurity | Residual CHCl₃ in CDCl₃ | 7.26 | — | 7.26 |
| Solvent / Impurity | H₂O in CDCl₃ | 1.56 | — | 1.56 |
| Solvent / Impurity | Residual DMSO-d₅ in DMSO-d₆ | 2.50 | — | 2.50 |
| Solvent / Impurity | H₂O in DMSO-d₆ | 3.33 | — | 3.33 |
| Solvent / Impurity | Residual CHD₂OD in CD₃OD | 3.31 | — | 3.31 |
| Solvent / Impurity | HOD/OH in CD₃OD | 4.87 | — | 4.87 |
| Solvent / Impurity | Residual acetone-d₅ in acetone-d₆ | 2.05 | — | 2.05 |
| Solvent / Impurity | H₂O in acetone-d₆ | 2.84 | — | 2.84 |
| Solvent / Impurity | Residual C₆D₅H in C₆D₆ | 7.16 | — | 7.16 |
| Solvent / Impurity | Residual CHDCl₂ in CD₂Cl₂ | 5.32 | — | 5.32 |
| Solvent / Impurity | Residual CHD₂CN in CD₃CN | 1.94 | — | 1.94 |
| Solvent / Impurity | HOD in D₂O (~25 °C) | 4.79 | — | 4.79 |
| Solvent / Impurity | Dichloromethane in CDCl₃ | 5.30 | — | 5.30 |
| Solvent / Impurity | Silicone grease in CDCl₃ | 0.07 | — | 0.07 |
Functional-group ranges are typical values compiled from standard spectroscopy texts (Silverstein, Webster & Kiemle; Pretsch et al.) and the Reich NMR collection. Shifts vary with solvent, temperature, concentration and substituents; a ppm match alone does not identify a compound. Compare unknowns with reference spectra in SDBS.
Residual Solvent and Water Peaks
Use the residual signal of the deuterated solvent as a secondary reference when no TMS is added. δ in ppm at about 25 °C.
| Solvent | Residual ¹H | H₂O / HOD ¹H | ¹³C |
|---|---|---|---|
| CDCl₃ | 7.26 | 1.56 | 77.16 |
| Acetone-d₆ | 2.05 | 2.84 | 29.84, 206.26 |
| DMSO-d₆ | 2.50 | 3.33 | 39.52 |
| C₆D₆ | 7.16 | 0.40 | 128.06 |
| CD₃CN | 1.94 | 2.13 | 1.32, 118.26 |
| CD₃OD | 3.31 | 4.87 | 49.00 |
| D₂O | 4.79 (HOD) | — | — |
| CD₂Cl₂ | 5.32 | 1.52 | 53.84 |
| THF-d₈ | 1.72, 3.58 | 2.46 | 25.31, 67.21 |
| Toluene-d₈ | 2.08, 6.97, 7.01, 7.09 | 0.43 | 20.43, 125.13, 127.96, 128.87, 137.48 |
Source: Fulmer, G. R. et al. “NMR Chemical Shifts of Trace Impurities,” Organometallics 2010, 29, 2176 (extends Gottlieb, Kotlyar & Nudelman, J. Org. Chem. 1997, 62, 7512). The water peak moves with temperature and concentration.
Common Impurity Peaks in CDCl₃ and DMSO-d₆ (¹H)
Leftover workup and chromatography solvents are the most common unexplained peaks. Type a ppm to find impurities within ±0.03 ppm in either solvent.
| Compound | Proton | δ CDCl₃ | δ DMSO-d₆ |
|---|---|---|---|
| Acetic acid | CH₃ (s) | 2.10 | 1.91 |
| Acetone | CH₃ (s) | 2.17 | 2.09 |
| Acetonitrile | CH₃ (s) | 2.10 | 2.07 |
| Benzene | CH (s) | 7.36 | 7.37 |
| Chloroform | CH (s) | 7.26 | 8.32 |
| Cyclohexane | CH₂ (s) | 1.43 | 1.40 |
| Dichloromethane | CH₂ (s) | 5.30 | 5.76 |
| Diethyl ether | CH₃ (t) | 1.21 | 1.09 |
| Diethyl ether | CH₂ (q) | 3.48 | 3.38 |
| DMF | CHO (s) | 8.02 | 7.95 |
| DMF | CH₃ (s) | 2.96 | 2.89 |
| DMF | CH₃ (s) | 2.88 | 2.73 |
| DMSO | CH₃ (s) | 2.62 | 2.54 |
| 1,4-Dioxane | CH₂ (s) | 3.71 | 3.57 |
| Ethanol | CH₃ (t) | 1.25 | 1.06 |
| Ethanol | CH₂ (q) | 3.72 | 3.44 |
| Ethanol | OH (s) | 1.32 | 4.63 |
| Ethyl acetate | CH₃CO (s) | 2.05 | 1.99 |
| Ethyl acetate | OCH₂ (q) | 4.12 | 4.03 |
| Ethyl acetate | CH₃ (t) | 1.26 | 1.17 |
| H grease | CH₂ (br s) | 1.25 | 1.24 |
| n-Hexane | CH₃ (t) | 0.88 | 0.86 |
| n-Hexane | CH₂ (m) | 1.26 | 1.25 |
| Methanol | CH₃ (s) | 3.49 | 3.16 |
| Methanol | OH (s) | 1.09 | 4.01 |
| 2-Propanol | CH₃ (d) | 1.22 | 1.04 |
| 2-Propanol | CH (sept) | 4.04 | 3.78 |
| Pyridine | CH-2,6 (m) | 8.62 | 8.58 |
| Silicone grease | CH₃ (s) | 0.07 | -0.06 |
| Tetrahydrofuran | OCH₂ (m) | 3.76 | 3.60 |
| Tetrahydrofuran | CH₂ (m) | 1.85 | 1.76 |
| Toluene | CH₃ (s) | 2.36 | 2.30 |
| Triethylamine | CH₃ (t) | 1.03 | 0.93 |
| Triethylamine | CH₂ (q) | 2.53 | 2.43 |
| Water | H₂O (s) | 1.56 | 3.33 |
Source: Fulmer et al. 2010, Table S1 (s singlet, d doublet, t triplet, q quartet, sept septet, m multiplet, br broad).
Typical ¹H–¹H Coupling Constants (J)
Magnitudes in Hz. J is the spacing between multiplet lines and does not change with field strength; ppm × spectrometer MHz = Hz.
| Relationship | Range (Hz) | Typical (Hz) |
|---|---|---|
| Geminal H–C–H (sp³) | 10–15 | 12–14 |
| Vicinal H–C–C–H, free rotation | 6–8 | 7 |
| Cyclohexane axial–axial | 8–13 | 10 |
| Cyclohexane axial–equatorial or equatorial–equatorial | 2–5 | 3 |
| Alkene trans H–C=C–H | 12–18 | 16 |
| Alkene cis H–C=C–H | 6–12 | 10 |
| Alkene geminal =CH₂ | 0–3 | 2 |
| Allylic H–C=C–C–H | 0–3 | 1.5 |
| Aldehyde H–C(=O)–C–H | 1–3 | 2 |
| Aromatic ortho | 6–10 | 8 |
| Aromatic meta | 1–3 | 2 |
| Aromatic para | 0–1 | <1 |
| Propargylic H–C≡C–C–H | 2–3 | 2.5 |
Vicinal couplings follow the Karplus relation: largest near 0° and 180° dihedral angles, smallest near 90°. A doublet with lines 0.040 ppm apart on a 400 MHz spectrometer has J = 0.040 × 400 = 16 Hz, typical of a trans alkene.
Quick answer
A proton NMR chemical shift table lists typical 1H δ ranges in ppm relative to TMS: alkyl C–H 0.8–1.7, H next to C=O 2.0–2.6, H on carbon bonded to O 3.2–4.7, alkene 4.6–6.5, aromatic 6.5–8.5, aldehyde 9.4–10.5 and carboxylic acid O–H 10–12 ppm. In 13C NMR, carbonyl carbons appear at 160–220 ppm and aromatic carbons at 110–160 ppm.
Examples
| Proton environment | δ range (ppm) | Typical δ |
|---|---|---|
| Alkyl –CH₃ | 0.80–1.00 | 0.90 |
| α-CH₃ next to C=O | 2.00–2.40 | 2.20 |
| Methyl ester –OCH₃ | 3.50–3.80 | 3.65 |
| Aromatic ArH | 6.50–8.50 | 7.50 |
| Aliphatic aldehyde –CHO | 9.40–10.00 | 9.70 |
Type an observed ppm, like 7.26, to list every proton group and solvent peak that matches it.
Summary
This tool provides searchable reference tables of typical <sup>1</sup>H and <sup>13</sup>C NMR chemical shift (δ) ranges for common environments, organized by functional group, relative to TMS. It also lists residual deuterated-solvent and water peaks, common laboratory impurities in CDCl₃ and DMSO-d₆, and typical proton–proton coupling constants. Use it to assign peaks, recognize contaminants, predict signals before an experiment, or study NMR patterns for organic chemistry.
How it works
- Choose the nucleus tab: 1H (proton) or 13C (carbon).
- Type a proton environment, keyword or an observed δ value in ppm; a number lists every range within ±0.05 ppm (1H) or ±1 ppm (13C).
- Filter by functional group, or sort by group, environment, δ min or δ max.
- Check the residual solvent and water peaks of your deuterated solvent, and the impurity table, before assigning a stray signal.
- Use the coupling constant table to match multiplet spacings (J, in Hz) to a structural relationship.
Use cases
- Assign peaks in a 1H or 13C NMR spectrum to specific environments.
- Identify residual solvent, water, grease and common solvent impurity peaks.
- Predict the signals of a target compound before running an NMR experiment.
- Study for organic chemistry exams using grouped shift ranges and J values.
- Distinguish aldehyde (≈9–10 ppm) from carboxylic acid (≈10–12 ppm) signals.
- Decide whether an alkene is cis or trans from its vinyl coupling constant.