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Where ranges are not given, a wise assumption would be 0.4 ppm for H, and 3
ppm for C.
1H,
13C,
ppm
ppm
CH3
0.6 1.2
15 - 30
CH2
1.2 1.5
22 - 45
CH
1.4 1.8
30 - 58
3-ring CH2
-0.2 0.2
-2.9
4-ring CH2
1.95
22.3
5-ring CH2
1.50
26.5
6-ring CH2
1.44
27.3
0.8 1.4
27 - 29
1.05 1.20
15 - 30
1.0 2.0
25 - 30
CH3 -C=C
1.5 2.0
12 - 25
Compound Class
Structure
Alkanes
Cycloalkanes
Various CH3
CH3-C-C-G
(G = X, OH, OR, N ..)
CH3-C-G
(G = C=C, Ar)
CH3-C-G
2.1 -
CH3-COR, CH3-Ar
2.4
20 - 30
CH3-C C
1.7
5 - 30
2.2 3.5
25 - 35
3.2 3.8
56 - 60
2.3 2.6
32 - 45
G = C=C
1.9 2.3
32 - 35
G = Ar
2.4 2.7
38 - 40
G=F
4.3
88
G = Cl
3.4
51
G = Br
3.3
40
G=I
3.1
13
G = OH, OR
3.5
67 - 69
G = NH2
2.5
47 - 49
G = NR2
2.5
60 - 62
R = CO2H
2.4
39 - 41
G = CN
2.5
25 - 27
2.5
40
2.2
CH3-G
(G = N, X)
CH3-G
(G = OR, OAr)
Various CH2
Various CH
R-CH2-G, G = C=O
R2CH-G, G = C=O
G = C=C
Alkenes
Alkynes
Benzenes
G = Ar
2.8
32
G=F
4.6
83
G = Cl
4.0
52
G = Br
4.1
45
G=I
4.2
20
G = OH, OR
3.9
57 - 58
G = NH2
2.8
43
G = NR2
2.8
56
G = CO2H
2.6
G = CN
2.7
23
=CH2
4.5 5.0
115
=CH2 (conjugated)
5.3 5.8
117
=CHR
5.1 5.8
120 140
=CHR (conjugated)
5.8 6.6
130
-140
C=C=CH2
4.4
75 - 90
C=C=C
N.A..
210 220
RCCH
2.4 2.7
65 - 70
RCCH
N.A.
85 - 90
6.5 -
115 -
General Ranges
8.5
160
PhNO2, ipso-
N.A.
148.5
ortho-
8.2
123.5
meta-
7.4
129.4
para-
7.6
134.3
PhOCH3, ipso-
N.A.
159.9
ortho-
6.8
114.1
meta-
7.2
129.5
para-
6.7
120.8
PhBr, ipso-
N.A.
123.0
ortho-
7.5
131.9
meta-
7.1
130.2
para-
6.7
126.9
PhCH3, ipso-
N.A.
137.8
ortho-
7.4
129.3
meta-
7.2
128.5
para-
7.1
125.6
RCHO
9.4 9.7
200
ArCHO
9.7 10.0
190
R2CO
N.A.
205 215
N.A.
214
Specific examples:
Carbonyl Groups
(aldehydes)
(ketones)
5-ring C=O
6-ring C=O
N.A.
209
ArCOR
N.A.
190 200
(carboxyls)
RCO2H, ArCO2H
N.A.
170 180
(esters)
RCO2R, ArCO2R
N.A.
165 172
(acid chlorides)
RCOCl, ArCOCl
N.A.
168 170
RCONH2, ArCONH2
N.A.
170
Nitriles
RCN
N.A.
115 125
Exchangeable (Acidic)
Hydrogens
ROH (free)
0.5 1.0
N.A.
ROH (H-bonded)
4.0 6.0
N.A.
ArOH (free)
4.5
N.A.
ArOH (H-bonded)
9.0 12.0
N.A.
CO2H (H-bonded)
9.6 13.3
N.A.
0.5 1.5
N.A.
2.5 4.0
N.A.
7.0 8.0
N.A.
(amides)
8.5 9.5
N.A.
RSH
1.0 1.6
N.A.
ArSH
3.0 4.0
N.A.
References
1. Carbon chemical shifts are taken largely from: Wehrli, F. W.; Wirthlin, T.
"Interpretation of Carbon-13 NMR Spectra", Heyden, New York, 1976.
2. Hydrogen chemical shifts and some carbon shifts are taken from: Silverstein, R.
M.; Webster, F. X.; and Kiemle, D. J., "Spectrometric Identification of Organic
Compounds", 7th edition, John Wiley and Sons, New York, 2005.
This page last modified 11:59 AM on Sunday October 18th, 2009.
Webmaster, Department of Chemistry, University of Maine, Orono, ME 04469