NMR Data Table 2

Nuclear Magnetic Resonance - Chemical Shifts

TABLE 2. ¹³C NMR DATA a Data taken from Gottlieb, H. E., Kotlyar, V., and Nudelman, A.; NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities, J. Org. Chem 1997, 62, 7512-7515

CDCL₃

(CD₃)₂CO

(CD₃)₂SO

C₆D₆

CD₃CN

CD₃OD

D₂O

solvent signals

77.16 � 0.06

29.84 � 0.01

39.52 � 0.06

128.06 � 0.02

1.32 � 0.02

49.00 � 0.01

206.26 � 0.13

118.26 � 0.02

acetic acid

CO

175.99

172.31

171.93

175.82

173.21

175.11

177.21

CH₃

20.81

20.51

20.95

20.37

20.73

20.56

21.03

acetone

CO

207.07

205.87

206.31

204.43

207.43

209.67

215.94

CH₃

30.92

30.60

30.56

30.14

30.91

30.67

30.89

acetonitrile

CN

116.43

117.60

117.91

116.02

118.26

118.06

119.68

CH₃

1.89

1.12

1.03

0.20

1.79

0.85

1.47

benzene

CH

128.37

129.15

128.30

128.62

129.32

129.34

tert-butyl alcohol

C

69.15

68.13

66.88

68.19

68.74

69.40

70.36

CH₃

31.25

30.72

30.38

30.47

30.68

30.91

30.29

tert-butyl methyl ether

OCH₃

49.45

49.35

48.70

49.19

49.52

49.66

49.37

C

72.87

72.81

72.04

72.40

73.17

74.32

75.62

CCH₃

26.99

27.24

26.79

27.09

27.28

27.22

26.60

BHT

C(1)

151.55

152.51

151.47

152.05

152.42

152.85

C(2)

135.87

138.19

139.12

136.08

138.13

139.09

CH(3)

125.55

129.05

127.97

128.52

129.61

129.49

C(4)

128.27

126.03

124.85

125.83

126.38

126.11

CH₃Ar

21.20

21.31

20.97

21.40

21.23

21.38

CH₃C

30.33

31.61

31.25

31.34

31.50

31.15

C

34.25

35.00

34.33

34.35

35.05

35.36

chloroform

CH

77.36

79.19

79.16

77.79

79.17

79.44

cyclohexane

CH₂

26.94

27.51

26.33

27.23

27.63

27.96

1,2-dichloroethane

CH₂

43.50

45.25

45.02

43.59

45.54

45.11

dichloromethane

CH₂

53.52

54.95

54.84

53.46

55.32

54.78

diethyl ether

CH₃

15.20

15.78

15.12

15.46

15.63

15.46

14.77

CH₂

65.91

66.12

62.05

65.94

66.32

66.88

66.42

diglyme

CH₃

59.01

58.77

57.98

58.66

58.90

59.06

58.67

CH₂

70.51

71.03

69.54

70.87

70.99

71.33

70.05

CH₂

71.90

72.63

71.25

72.35

72.63

72.92

71.63

1,2-dimethoxyethane

CH₃

59.08

58.45

58.01

58.68

58.89

59.06

58.67

CH₂

71.84

72.47

17.07

72.21

72.47

72.72

71.49

dimethylacetamide

CH₃

21.53

21.51

21.29

21.16

21.76

21.32

21.09

CO

171.07

170.61

169.54

169.95

171.31

173.32

174.57

NCH₃

35.28

34.89

37.38

34.67

35.17

35.50

35.03

NCH₃

38.13

37.92

34.42

37.03

38.26

38.43

38.76

dimethylformamide

CH

162.62

162.79

162.29

162.13

163.31

164.73

165.53

CH₃

36.50

36.15

35.73

35.25

36.57

36.89

37.54

CH₃

31.45

31.03

30.73

30.72

31.32

31.61

32.03

dimethyl sulfoxide

CH₃

40.76

41.23

40.45

40.03

41.31

40.45

39.39

dioxane

CH₂

67.14

67.60

66.36

67.16

67.72

68.11

67.19

ethanol

CH₃

18.41

18.89

18.51

18.72

18.80

18.40

17.47

CH₂

58.28

57.72

56.07

57.86

57.96

58.26

58.05

ethyl acetate

CH₃CO

21.04

20.83

20.68

20.56

21.16

20.88

21.15

CO

171.36

170.96

170.31

170.44

171.68

172.89

175.26

CH₂

60.49

60.56

59.74

60.21

60.98

61.50

62.32

CH₃

14.19

14.50

14.40

14.19

14.54

14.49

13.92

ethyl methyl ketone

CH₃CO

29.49

29.30

29.26

28.56

29.60

29.39

29.49

CO

209.56

208.30

208.72

206.55

209.88

212.16

218.43

CH₂CH₃

36.89

36.75

35.83

36.36

37.09

37.34

37.27

CH₂CH₃

7.89

8.03

7.61

7.91

8.14

8.09

7.87

ethylene glycol

CH₂

63.79

64.26

62.76

64.34

64.22

64.30

63.17

"grease"

CH₂

29.76

30.73

29.20

30.21

30.86

31.29

n- hexane

CH₃

14.14

14.34

13.88

14.32

14.43

14.45

CH₂(2)

22.70

23.28

22.05

23.04

23.40

23.68

CH₂(3)

31.64

32.30

30.95

31.96

32.36

32.73

HMPA^b

CH₃

36.87

37.04

36.42

36.88

37.10

37.00

36.46

methanol

CH₃

50.41

49.77

48.59

49.97

49.90

49.86

49.50^c

nitromethane

CH₃

62.50

63.21

63.28

61.16

63.66

63.08

63.22

n-pentane

CH₃

14.08

14.29

13.28

14.25

14.37

14.39

CH₂(2)

22.38

22.98

21.70

22.72

23.08

23.38

CH₂(3)

34.16

34.83

33.48

34.45

34.89

35.30

2-propanol

CH₃

25.14

25.67

25.43

25.18

25.55

25.27

24.38

CH

64.50

63.85

64.92

64.23

64.30

64.71

64.88

pyridine

CH(2)

149.90

150.67

149.58

150.27

150.76

150.07

149.18

CH(3)

123.75

124.57

123.84

123.58

127.76

125.53

125.12

CH(4)

135.96

136.56

136.05

135.28

136.89

138.35

138.27

silicone grease

CH₃

1.04

1.40

1.38

2.10

tetrahydrofuran

CH₂

25.62

26.15

25.14

25.72

26.27

26.48

25.67

CH₂O

67.97

68.07

67.03

67.80

68.33

68.83

68.68

toluene

CH₃

21.46

21.46

20.99

21.10

21.50

21.50

C(i)

137.89

138.48

137.35

137.91

138.90

138.85

CH(o)

129.07

129.76

128.88

129.33

129.94

129.91

CH(m)

128.26

129.03

128.18

128.56

129.23

129.20

CH(p)

125.33

126.12

125.29

125.68

126.28

126.29

triethylamine

CH₃

11.61

12.49

11.74

12.35

12.38

11.09

9.07

CH₂

46.25

47.07

45.75

46.77

47.10

46.96

47.19

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		CDCL₃	(CD₃)₂CO	(CD₃)₂SO	C₆D₆	CD₃CN	CD₃OD	D₂O
solvent signals		77.16 � 0.06	29.84 � 0.01	39.52 � 0.06	128.06 � 0.02	1.32 � 0.02	49.00 � 0.01
			206.26 � 0.13			118.26 � 0.02
acetic acid	CO	175.99	172.31	171.93	175.82	173.21	175.11	177.21
	CH₃	20.81	20.51	20.95	20.37	20.73	20.56	21.03
acetone	CO	207.07	205.87	206.31	204.43	207.43	209.67	215.94
	CH₃	30.92	30.60	30.56	30.14	30.91	30.67	30.89
acetonitrile	CN	116.43	117.60	117.91	116.02	118.26	118.06	119.68
	CH₃	1.89	1.12	1.03	0.20	1.79	0.85	1.47
benzene	CH	128.37	129.15	128.30	128.62	129.32	129.34
tert-butyl alcohol	C	69.15	68.13	66.88	68.19	68.74	69.40	70.36
	CH₃	31.25	30.72	30.38	30.47	30.68	30.91	30.29
tert-butyl methyl ether	OCH₃	49.45	49.35	48.70	49.19	49.52	49.66	49.37
	C	72.87	72.81	72.04	72.40	73.17	74.32	75.62
	CCH₃	26.99	27.24	26.79	27.09	27.28	27.22	26.60
BHT	C(1)	151.55	152.51	151.47	152.05	152.42	152.85
	C(2)	135.87	138.19	139.12	136.08	138.13	139.09
	CH(3)	125.55	129.05	127.97	128.52	129.61	129.49
	C(4)	128.27	126.03	124.85	125.83	126.38	126.11
	CH₃Ar	21.20	21.31	20.97	21.40	21.23	21.38
	CH₃C	30.33	31.61	31.25	31.34	31.50	31.15
	C	34.25	35.00	34.33	34.35	35.05	35.36
chloroform	CH	77.36	79.19	79.16	77.79	79.17	79.44
cyclohexane	CH₂	26.94	27.51	26.33	27.23	27.63	27.96
1,2-dichloroethane	CH₂	43.50	45.25	45.02	43.59	45.54	45.11
dichloromethane	CH₂	53.52	54.95	54.84	53.46	55.32	54.78
diethyl ether	CH₃	15.20	15.78	15.12	15.46	15.63	15.46	14.77
	CH₂	65.91	66.12	62.05	65.94	66.32	66.88	66.42
diglyme	CH₃	59.01	58.77	57.98	58.66	58.90	59.06	58.67
	CH₂	70.51	71.03	69.54	70.87	70.99	71.33	70.05
	CH₂	71.90	72.63	71.25	72.35	72.63	72.92	71.63
1,2-dimethoxyethane	CH₃	59.08	58.45	58.01	58.68	58.89	59.06	58.67
	CH₂	71.84	72.47	17.07	72.21	72.47	72.72	71.49
dimethylacetamide	CH₃	21.53	21.51	21.29	21.16	21.76	21.32	21.09
	CO	171.07	170.61	169.54	169.95	171.31	173.32	174.57
	NCH₃	35.28	34.89	37.38	34.67	35.17	35.50	35.03
	NCH₃	38.13	37.92	34.42	37.03	38.26	38.43	38.76
dimethylformamide	CH	162.62	162.79	162.29	162.13	163.31	164.73	165.53
	CH₃	36.50	36.15	35.73	35.25	36.57	36.89	37.54
	CH₃	31.45	31.03	30.73	30.72	31.32	31.61	32.03
dimethyl sulfoxide	CH₃	40.76	41.23	40.45	40.03	41.31	40.45	39.39
dioxane	CH₂	67.14	67.60	66.36	67.16	67.72	68.11	67.19
ethanol	CH₃	18.41	18.89	18.51	18.72	18.80	18.40	17.47
	CH₂	58.28	57.72	56.07	57.86	57.96	58.26	58.05
ethyl acetate	CH₃CO	21.04	20.83	20.68	20.56	21.16	20.88	21.15
	CO	171.36	170.96	170.31	170.44	171.68	172.89	175.26
	CH₂	60.49	60.56	59.74	60.21	60.98	61.50	62.32
	CH₃	14.19	14.50	14.40	14.19	14.54	14.49	13.92
ethyl methyl ketone	CH₃CO	29.49	29.30	29.26	28.56	29.60	29.39	29.49
	CO	209.56	208.30	208.72	206.55	209.88	212.16	218.43
	CH₂CH₃	36.89	36.75	35.83	36.36	37.09	37.34	37.27
	CH₂CH₃	7.89	8.03	7.61	7.91	8.14	8.09	7.87
ethylene glycol	CH₂	63.79	64.26	62.76	64.34	64.22	64.30	63.17
"grease"	CH₂	29.76	30.73	29.20	30.21	30.86	31.29
n- hexane	CH₃	14.14	14.34	13.88	14.32	14.43	14.45
	CH₂(2)	22.70	23.28	22.05	23.04	23.40	23.68
	CH₂(3)	31.64	32.30	30.95	31.96	32.36	32.73
HMPA^b	CH₃	36.87	37.04	36.42	36.88	37.10	37.00	36.46
methanol	CH₃	50.41	49.77	48.59	49.97	49.90	49.86	49.50^c
nitromethane	CH₃	62.50	63.21	63.28	61.16	63.66	63.08	63.22
n-pentane	CH₃	14.08	14.29	13.28	14.25	14.37	14.39
	CH₂(2)	22.38	22.98	21.70	22.72	23.08	23.38
	CH₂(3)	34.16	34.83	33.48	34.45	34.89	35.30
2-propanol	CH₃	25.14	25.67	25.43	25.18	25.55	25.27	24.38
	CH	64.50	63.85	64.92	64.23	64.30	64.71	64.88
pyridine	CH(2)	149.90	150.67	149.58	150.27	150.76	150.07	149.18
	CH(3)	123.75	124.57	123.84	123.58	127.76	125.53	125.12
	CH(4)	135.96	136.56	136.05	135.28	136.89	138.35	138.27
silicone grease	CH₃	1.04	1.40		1.38		2.10
tetrahydrofuran	CH₂	25.62	26.15	25.14	25.72	26.27	26.48	25.67
	CH₂O	67.97	68.07	67.03	67.80	68.33	68.83	68.68
toluene	CH₃	21.46	21.46	20.99	21.10	21.50	21.50
	C(i)	137.89	138.48	137.35	137.91	138.90	138.85
	CH(o)	129.07	129.76	128.88	129.33	129.94	129.91
	CH(m)	128.26	129.03	128.18	128.56	129.23	129.20
	CH(p)	125.33	126.12	125.29	125.68	126.28	126.29
triethylamine	CH₃	11.61	12.49	11.74	12.35	12.38	11.09	9.07
	CH₂	46.25	47.07	45.75	46.77	47.10	46.96	47.19