Nuclear Magnetic Resonance - Chemical Shifts

TABLE 1. 1H NMR DATA 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

Proton

mult

CDCL3

(CD3)2CO

(CD3)2SO

C6D6

CD3 CN

CD3OD

D2O

solvent residual peak

7.26

2.05

2.50

7.16

1.94

3.31

4.79

H20

s

1.56

2.84a

3.33a

0.40

2.13

4.87

acetic acid

CH3

s

2.10

1.96

1.91

1.55

1.96

1.99

2.08

acetone

CH3

s

2.17

2.09

2.09

1.55

2.08

2.15

2.22

acetonitrile

CH3

s

2.10

2.05

2.07

1.55

1.96

2.03

2.06

benzene

CH

s

7.36

7.36

7.37

7.15

7.37

7.33

tert-butyl methyl alcohol

CH3

s

1.28

1.18

1.11

1.05

1.16

1.40

1.24

OHc

s

4.19

1.55

2.18

tert-butyl methyl ether

CCH3

s

1.19

1.13

1.11

1.07

1.14

1.15

1.21

OCH3

s

3.22

3.13

3.08

3.04

3.13

3.20

3.22

BHTb

ArH

s

6.98

6.96

6.87

7.05

6.97

6.92

OHc

s

5.01

6.65

4.79

5.20

ArCH3

s

2.27

2.22

2.18

2.24

2.22

2.21

ArC(CH3)3

s

1.43

1.41

1.36

1.38

1.39

1.40

chloroform

CH

s

7.26

8.02

8.32

6.15

7.58

7.90

cyclohexane

CH2

s

1.43

1.43

1.40

1.40

1.44

1.45

1,2-dichloroethane

CH2

s

3.73

3.87

3.90

2.90

3.81

3.78

dichloromethane

CH2

s

5.30

5.63

5.76

4.27

5.44

5.49

diethyl ether

CH3

t,7

1.21

1.11

1.09

1.11

1.12

1.18

1.17

CH2

q,7

3.48

3.41

3.38

3.26

3.42

3.49

3.56

diglyme

CH2

m

3.65

3.56

3.51

3.46

3.53

3.61

3.67

CH2

m

3.57

3.47

3.38

3.34

3.45

3.58

3.61

OCH3

s

3.39

3.28

3.24

3.11

3.29

3.35

3.37

1,2-dimethoxyethane

CH3

s

3.40

3.28

3.24

3.12

3.28

3.35

3.37

CH2

s

3.55

3.46

3.43

3.33

3.45

3.52

3.60

dimethylacetamide

CH3CO

s

2.09

1.97

1.96

1.60

1.97

2.07

2.08

NCH3

s

3.02

3.00

2.94

2.57

2.96

3.31

3.06

NCH3

s

2.94

2.83

2.78

2.05

2.83

2.92

2.90

dimethylformanamide

CH

s

8.02

7.96

7.95

7.63

7.92

7.97

7.92

CH3

s

2.96

2.94

2.89

2.36

2.89

2.99

3.01

CH3

s

2.88

2.78

2.73

1.86

2.77

2.86

2.85

dimethyl sulfoxide

CH3

s

2.62

2.52

2.54

1.68

2.50

2.65

2.71

dioxane

CH2

s

3.71

3.59

3.57

3.35

3.60

3.66

3.75

ethanol

CH3

t, 7

1.25

1.12

1.06

0.96

1.12

1.19

1.17

CH2

q, 7d

3.72

3.57

3.44

3.34

3.54

3.60

3.65

OH

sc,d

1.32

3.39

4.63

2.47

ethyl acetate

CH3CO

s

2.05

1.97

1.99

1.65

1.97

2.01

2.07

CH2CH3

q, 7

4.12

4.05

4.03

3.89

4.06

4.09

4.14

CH2CH3

t, 7

1.26

1.20

1.17

0.92

1.20

1.24

1.24

ethyl methyl ketone

CH3CO

s

2.14

2.07

2.07

1.58

2.06

2.12

2.19

CH2CH3

q, 7

2.46

2.45

2.43

1.81

2.43

2.50

3.18

CH2CH3

t, 7

1.06

0.96

0.91

0.85

0.96

1.01

1.26

ethylene glycol

CH

se

3.76

3.28

3.34

3.41

3.51

3.59

3.65

"grease"f

CH3

m

0.86

0.87

0.92

0.86

0.88

CH2

br s

1.26

1.29

1.36

1.27

1.29

n-hexane

CH3

t

0.88

0.88

0.86

0.89

0.89

0.90

CH2

m

1.26

1.28

1.25

1.24

1.28

1.29

HMPAg

CH3

d, 9.5

2.59

2.65

2.53

2.40

2.57

2.64

2.61

methanol

CH3

sh

3.49

3.31

3.16

3.07

3.28

3.34

3.34

OH

sc,h

1.09

3.12

4.01

2.16

nitromethane

CH3

s

4.33

4.43

4.42

2.94

4.31

4.34

4.40

n-pentane

CH3

t, 7

0.88

0.88

0.86

0.87

0.89

0.90

CH2

m

1.27

1.27

1.27

1.23

1.29

1.29

2-propanol

CH3

d, 6

1.22

1.10

1.04

0.95

1.09

1.50

1.17

CH

sep, 6

4.04

3.90

3.78

3.67

3.87

3.92

4.02

pyridine

CH(2)

m

8.62

8.58

8.58

8.53

8.57

8.53

8.52

CH(3)

m

7.29

7.35

7.39

6.66

7.33

7.44

7.45

CH(4)

m

7.68

7.76

7.79

6.98

7.73

7.85

7.87

silicone greasei

CH3

s

0.07

0.13

0.29

0.08

0.10

tetrahydrofuran

CH2

m

1.85

1.79

1.76

1.40

1.80

1.87

1.88

CH2O

m

3.76

3.63

3.60

3.57

3.64

3.71

3.74

toluene

CH3

s

2.36

2.32

2.30

2.11

2.33

2.32

CH(o / p)

m

7.17

7.1-7.2

7.18

7.02

7.1-7.3

7.16

CH(m)

m

7.25

7.1-7.2

7.25

7.13

7.1-7.3

7.16

triethylamine

CH3

t,7

1.03

0.96

0.93

0.96

0.96

1.05

0.99

CH2

q,7

2.53

2.45

2.43

2.40

2.45

2.58

2.57


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