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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


Classics in Spectroscopy_NMReDATA/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Type: 13C 150.0
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Classics in Spectroscopy;NMReDATA
1 S 169.28 169.28
2 S 142.23 142.23
3 S 140.45 140.45
4 S 132.72 132.72
5 D 128.56 128.56
6 D 127.34 127.34
7 D 124.66 124.66
8 D 122.26 122.26
9 D 116.23 116.23
10 D 76.85 76.85
11 T 64.60 64.6
12 D 60.28 60.28
13 D 60.10 60.1
14 T 52.68 52.68
15 S 51.96 51.96
16 T 50.35 50.35
17 D 48.22 48.22
18 T 42.85 42.85
19 T 42.28 42.28
20 D 31.60 31.6
21 T 26.84 26.84

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Spectral Data   Additional Data   Download  
Type: 13C 150.0
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Classics in Spectroscopy;NMReDATA
1 D 122.26 122.26
2 D 124.66 124.66
3 D 128.56 128.56
4 D 116.23 116.23
5 S 142.23 142.23
6 S 132.72 132.72
7 S 51.96 51.96
8 D 60.10 60.1
10 S 169.28 169.28
11 T 42.28 42.28
12 D 76.85 76.85
13 D 48.22 48.22
14 D 31.60 31.6
15 T 26.84 26.84
16 D 60.28 60.28
17 T 42.85 42.85
18 T 50.35 50.35
20 T 52.68 52.68
21 S 140.45 140.45
22 D 127.34 127.34
23 T 64.60 64.6

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Spectral Data   Additional Data   Download  
Type: 1H 600.0
Atom
Mult.(coupling const.)
Meas.
Shift
1-H (1.08,7.49,0.23) 7.17
2-H (7.44,0.98,7.49) 7.11
3-H (7.9,7.44,1.08) 7.27
4-H (7.9,0.98,0.23) 8.10
8-H (10.41) 3.87 (H 26)
11-H (3.34,-17.34); (-17.34,8.47) 3.14, 2.67
12-H (3.3,3.34,8.47) 4.30 (H 27)
13-H (10.41,3.3,3.29) 1.28 (H 29)
14-H (0.47,1.61,4.11,1.96,3.29) 3.16 (H 28)
15-H (4.11,4.33,-14.35); (1.96,-14.35,2.42) 2.37, 1.47
16-H (4.33,2.42) 3.97
17-H (5.5,7.2,-13.9); (-13.9,3.2,10.7) 1.89
18-H (-13.9,5.5,3.2); (-13.9,7.2,10.7) 3.22, 2.89
20-H (1.61,1.79,-14.8); (-14.8) 3.73, 2.74
22-H (0.47,7.0,6.1,1.79) 5.92
23-H (7.0,-13.8); (6.1,-13.8) 4.16, 4.08

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Spectral Data   Additional Data   Download  
Type: H,H-COSY 600.1300048828125
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
21 1.47 21 2.37
21 1.47 12 3.97
18 1.89 16 3.22
16 2.89 18 1.89
19 3.14 19 2.67
20 3.16 21 2.37
20 3.16 17 1.28
16 3.22 16 2.89
14 3.73 14 2.74
13 3.87 17 1.28
12 3.97 21 2.37
11 4.16 11 4.08
10 4.3 17 1.28
10 4.3 19 3.14
10 4.3 19 2.67
6 5.92 11 4.16
6 5.92 11 4.08
6 5.92 20 3.16
8 7.17 7 7.11
5 7.27 7 7.11
9 8.1 5 7.27

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Spectral Data   Additional Data   Download  
Type: H,C-HSQC 600.1300048828125
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Shift
17 1.28 48.22
21 1.47 26.84
18 1.89 42.85
21 2.37 26.84
19 2.67 42.28
14 2.74 52.68
16 2.89 50.35
19 3.14 42.28
20 3.16 31.6
16 3.22 50.35
14 3.73 52.68
13 3.87 60.1
12 3.97 60.28
11 4.08 64.6
11 4.16 64.6
10 4.3 76.85
6 5.92 127.34
7 7.11 124.66
8 7.17 122.26
5 7.27 128.56
9 8.1 116.23

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Spectral Data   Additional Data   Download  
Type: H,C-HMBC 600.1300048828125
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift
17 1.28 3 140.45
17 1.28 13 60.1
17 1.28 20 31.6
21 1.47 3 140.45
21 1.47 17 48.22
21 1.47 20 31.6
18 1.89 4 132.72
18 1.89 13 60.1
18 1.89 12 60.28
18 1.89 16 50.35
18 1.89 15 51.96
21 2.37 12 60.28
21 2.37 17 48.22
21 2.37 15 51.96
21 2.37 20 31.6
19 2.67 1 169.28
19 2.67 10 76.85
14 2.74 3 140.45
14 2.74 12 60.28
14 2.74 16 50.35
14 2.74 6 127.34
14 2.74 20 31.6
16 2.89 14 52.68
16 2.89 18 42.85
19 3.14 1 169.28
19 3.14 2 142.23
19 3.14 10 76.85
19 3.14 17 48.22
20 3.16 17 48.22
20 3.16 3 140.45
16 3.22 12 60.28
14 3.73 3 140.45
14 3.73 12 60.28
14 3.73 16 50.35
14 3.73 6 127.34
13 3.87 2 142.23
13 3.87 4 132.72
13 3.87 10 76.85
13 3.87 17 48.22
13 3.87 15 51.96
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift
13 3.87 18 42.85
12 3.97 13 60.1
11 4.08 3 140.45
11 4.08 10 76.85
11 4.08 17 48.22
11 4.08 20 31.6
11 4.08 6 127.34
11 4.16 3 140.45
11 4.16 10 76.85
11 4.16 6 127.34
10 4.3 1 169.28
10 4.3 13 60.1
6 5.92 14 52.68
6 5.92 20 31.6
6 5.92 11 64.6
7 7.11 4 132.72
7 7.11 5 128.56
7 7.11 9 116.23
8 7.17 2 142.23
8 7.17 5 128.56
8 7.17 15 51.96
5 7.27 2 142.23
5 7.27 7 124.66
5 7.27 8 122.26
5 7.27 9 116.23
9 8.1 2 142.23
9 8.1 4 132.72
9 8.1 7 124.66

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Spectral Data   Additional Data   Download  
Type: H,H-NOESY 600.1300048828125
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
21 1.47 17 1.28
21 2.37 21 1.47
20 3.16 19 2.67
20 3.16 17 1.28
20 3.16 21 1.47
16 3.22 16 2.89
16 3.22 18 1.89
14 3.73 14 2.74
14 3.73 21 2.37
13 3.87 16 2.89
13 3.87 19 2.67
13 3.87 18 1.89
12 3.97 21 2.37
12 3.97 21 1.47
12 3.97 18 1.89
11 4.08 20 3.16
11 4.16 11 4.08
10 4.3 20 3.16
10 4.3 19 3.14
10 4.3 17 1.28
10 4.3 11 4.08
6 5.92 14 2.74
6 5.92 11 4.16
8 7.17 12 3.97
8 7.17 18 1.89
5 7.27 7 7.11
9 8.1 5 7.27

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