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IR and NMR Frequency Guide

This document provides guidelines for interpreting infrared (IR) spectroscopy and nuclear magnetic resonance (NMR) spectroscopy data, including typical absorption ranges and chemical shifts. IR absorption ranges are given for common functional groups like alkanes, alkenes, and alcohols. NMR chemical shifts are listed by proton type, such as primary alkane, aromatic, and carboxylic acid protons. Common solvent peaks are also indicated for NMR solvents like CDCl3, D2O, and acetone-d6.

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Clara Ryu
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179 views2 pages

IR and NMR Frequency Guide

This document provides guidelines for interpreting infrared (IR) spectroscopy and nuclear magnetic resonance (NMR) spectroscopy data, including typical absorption ranges and chemical shifts. IR absorption ranges are given for common functional groups like alkanes, alkenes, and alcohols. NMR chemical shifts are listed by proton type, such as primary alkane, aromatic, and carboxylic acid protons. Common solvent peaks are also indicated for NMR solvents like CDCl3, D2O, and acetone-d6.

Uploaded by

Clara Ryu
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© © All Rights Reserved
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(IR and NMR tables should only be used as a guideline. Variations exceeding the given range may be possible.

)
List of common IR frequencies NMR chemical shifts
Functional Bond (stretch Characteristic Type of proton Structure , ppm
Group unless noted) Absorption Cyclopropane C3H6 0.2
(cm-1) Primary alkane R-CH3 0.9
Alkane C-H 2950-2850 Secondary alkane R2-CH2 1.2-1.4
C-H 3100-3010 Tertiary alkane R3C-H 1.4-1.7
Alkene
C=C 1680-1620 Vinylic C=C-H 4.6-5.9
C-H ~3300 Acetylenic C≡C-H 2-3
Alkyne
C≡C 2260-2100 Aromatic Ar-H 6-8.5
C-H ~3030 Benzylic Ar-C-H 2.2-3
Benzene C-H bend 860-680 Allylic C=C-C-H 1.7-2
C=C 1700-1500 Halides H-C-X 2-4.5
O-H 3550-3200 H-C-OH 3.4-4
Alcohol/Phenol Alcohols
(broad, s) R-C-O-H 1-5.5 (v)
O-H 3400-2500 Phenols Ar-O-H 4-12 (v)
(broad, v) Ethers H-C-OR 3.3-4
Carboxylic acid
C=O 1780-1710 -Carbonyls H-C-C=O 2-2.7
(s) (aldehyde/ketone/
Amine N-H 3500-3300 ester/amide/etc.)
Nitrile C≡N 2260-2220 Esters RC(O)O-C-H 3.7-4.1
C-H ~2720
R-C(O)O-H 10-12
Aldehyde C=O 1740-1690 Carboxylic Acids
(b,v)
(s)
Aldehydic R-C(O)-H 9-10
C=O 1750-1680
Ketone Enolic C=C-O-H 15-17
(s)
Amines R-NH2 1-5 (b, v)
C=O 1750-1735
Ester Amides R-C(O)-NH-R 5-9 (b, v)
(s)
(b=broad peak, v=variable position)
N-H 3700-3500
Amide C=O 1690-1630
(s)
N-O, N=O ~1530 and
Nitro
~1350 (s)
(s=strong peak, v=variable intensity)

NMR Impurities CDCl3 D2O DMSO-d6 Acetone-d6


Residual solvent peak 7.2 (s) 4.8 (s) 2.5 (p) 2.1 (p)
Water 1.6 (s) 4.8 (s) 3.3 (s) 2.8 (might be s or t)
Acetone 2.2 (s) 2.2 (s) 2.1 (s) 2.1 (s)
Diethyl ether 1.2 (t), 3.5 (q) 1.2 (t), 3.6 (q) 1.1 (t), 3.4 (q) 1.1 (t), 3.4 (q)
Methylene chloride 5.3 (s) Not soluble 5.8 (s) 5.6 (s)

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