reference signals for 1H NMR | |||||||
---|---|---|---|---|---|---|---|
proton type | δ (ppm) | proton type | δ (ppm) | ||||
reference | alkyl protons next to a functional group |
||||||
Si(CH3)4 (TMS) | 0.0 | C-H as part of an acetal/ketal | 4.4 - 6.1 | ||||
hydrocarbons | C-H next to alcohol/ether | 3.3 - 4.5 | |||||
alkane protons | 0.7 - 2.8 | C-H next to aldehyde/ketone | 2.0 - 2.7 | ||||
alkane (methyl) protons | 0.7 - 1.3 | C-H next to amine | 2.2 - 2.9 | ||||
alkane (methylene) protons | 1.2 - 1.6 | C-H next to azide | 3.4 - 4.3 | ||||
alkane (methine) protons | 1.4 - 1.8 | C-H next to carboxylic acid | 2.1 - 4.2 | ||||
aralkyl (benzylic) protons | 2.2 - 2.8 | C-H next to carboxylic acid halide | 2.6 - 4.1 | ||||
alkene (allylic) protons | 1.5 - 2.6 | C-H next to cyanate | 3.6 - 4.5 | ||||
alkene (vinylic) protons | 4.5 - 6.5 | C-H next to epoxide | 2.5 - 3.6 | ||||
alkyne (acetylenic) protons | 1.8 - 3.1 | C-H next to ester (carbonyl side) | 2.0 - 2.2 | ||||
arene (phenyl) protons | 6.0 - 8.5 | C-H next to ester (ether side) | 3.7 - 4.1 | ||||
protons that are part of a functional group |
C-H next to halide | 2.5 - 4.5 | |||||
alcohol (alkyl alcohol) proton | 2.5 - 5 | C-H next to bromine | 2.7 - 4.1 | ||||
alcohol (aryl alcohol/phenolic) proton | 5 - 8 | C-H next to chlorine | 3.1 - 4.1 | ||||
aldehyde proton | 9.5 - 10.5 | C-H next to fluorine | 4.0 - 4.5 | ||||
amine proton | 1 - 3 | C-H next to iodine | 2.0 - 4.0 | ||||
carboxylic acid proton | 10 - 13 | C-H next to nitrile (cyanide) | 2.0 - 3.6 | ||||
C-H next to nitro | 4.0 - 4.5 | ||||||
C-H next to sulfone | 2.5 - 3.5 | ||||||
C-H next to thioalcohol/thioether | 2.0 - 4.0 |
splitting patterns in 1H NMR | ||
---|---|---|
number of equivalent couplings |
multiplet appearance |
integral ratio |
0 | singlet (s) | 1 |
1 | doublet (d) | 1 : 1 |
2 | triplet (t) | 1 : 2 : 1 |
3 | quartet (q) | 1 : 3 : 3 : 1 |
4 | quintet | 1 : 4 : 6 : 4 : 1 |
5 | sextet | 1 : 5 : 10 : 10 : 5 : 1 |
6 | septet | 1 : 6 : 15 : 20 : 15 : 6 : 1 |
3JHH coupling constants in 1H NMR | |||||
---|---|---|---|---|---|
cis-alkene | 4 - 12 Hz | cis-cycloalkane (Jax,eq) | 4 - 5 Hz | ||
trans-alkene | 12 - 18 Hz | trans-cycloalkane (Jax,ax) | 10 - 14 Hz |
reference signals for 13C NMR | |||||||
---|---|---|---|---|---|---|---|
carbon type | δ (ppm) | carbon type | δ (ppm) | ||||
hydrocarbons | next to a functional group | ||||||
methyl | 0 - 35 | C next to alcohol | 50 - 65 | ||||
methylene | 15 - 40 | C next to amine | 35 - 50 | ||||
methine | 25 - 50 | C next to azide | 10 - 60 | ||||
quaternary carbon | 30 - 40 | C next to bromine | 20 - 40 | ||||
alkene | 100 - 150 | C next to chlorine | 25 - 50 | ||||
alkyne | 65 - 90 | C next to ether | 50 - 75 | ||||
arene | 110 - 175 | C next to fluorine | 80 - 95 | ||||
in a functional group | C next to iodine | 0 - 20 | |||||
C in an aldehyde/ketone | 190 - 220 | C next to a nitro | 65 - 80 | ||||
C in an amide | 150 - 180 | C next to thioether | 20 - 45 | ||||
C in a carboxylic acid or ester | 160 - 185 | ||||||
C in a cyanate | 120 - 130 | ||||||
C in a nitrile (cyanide) | 110 - 125 |