Solvent

¹H Chemical Shift (multiplicity)

J_HD (Hz)

HOD in solvent (approx.)

¹³C Chemical Shift (multiplicity)

J_CD
(Hz)

B.P. (^oC)

M.P. (^oC)

Acetic Acid-d4

11.65
2.04

1
5

--
2.2

11.5

178.99
20.0

1
7

--
20

118

17

Acetone-d6

2.05

5

2.2

2.8

206.68
29.92

13
7

0.9
19.4

57

-94

Acetonitrile-d3

1.94

5

2.5

2.1

118.69
1.39

1
7

--
21

82

-45

Benzene-d6

7.16

1

--

0.4

128.39

3

24.3

80

5

Chloroform-d

7.27

1

--

1.5

77.23

3

32.0

62

-64

Cyclohexane-d12

1.38

1

--

--

26.43

5

19

81

6

Deuterium Oxide

4.80 (DSS)

1

--

4.8

--

--

--

101.4

3.8

N,N-Dimethyl-formamide

8.03
2.92
2.75

1
5
5

--
1.9
1.9

3.5

163.15
34.89
29.76

3
7
7

29.4
21.0
21.1

153

-61

Dimethyl Sulfoxide-d6

2.50

5

1.9

3.3

39.51

7

21.0

189

18

p-Dioxane-d6

3.53

m

--

2.4

66.66

5

21.9

101

12

Ethanol-d6

5.29
3.56
1.11

1
1
m

--

5.3

--
56.96
17.31

--
5
7

--
22
19

79

<-130

Methanol-d4

4.87
3.31

1
5

--
1.7

4.9

--
49.15

--
5

--
21.4

65

-98

Methylene Chloride-d2

5.32

3

1.1

1.5

54.00

5

24.2

40

-95

Tetrahydrofuran-d8

3.58
1.73

1
1

--

2.4 - 2.5

67.57
25.37

5
5

22.2
20.2

66

-109

Toluene-d8

--
7.09
7.00
6.98
2.09

--
m
1
m
5

--
--
--
--
2.3

0.4

137.86
129.24
128.33
125.49
20.4

1
3
3
3
7

--
23
24
24
19

111

-95

Trifluoroacetic Acid-d

11.50

1

--

11.5

164.2
116.6

4
4

72

-15

Trifluoroethanol-d3

5.02
3.88

1
4x3

--
2 (9)

5

126.3
61.5

4
4x5

--
22

75

-