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This molecule without stereoconfiguration:


ChiuZ/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Type: 13C 150.0
Atom
No.
Mult.(coupling const.)
Meas.
Shift ⇑
9 S 179.5
17 S 170.1
10 S 164.1
3 S 153.6
7a S 152.6
1 S 151.2
2 S 141.7
12a S 137.0
12 D 135.6
4a S 134.3
8 D 130.5
12b S 125.6
11 D 112.9
4 D 107.4
13 Q 61.6
14 Q 61.4
16 Q 56.5
15 Q 56.2
7 D 52.7
6 T 36.5
5 T 29.9
16 Q 22.8

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Spectral Data   Additional Data   Download  
Type: 1H 600.0
Atom
No.
Mult.(coupling const.)
Meas.
Shift ⇑
8-H 7.630
12-H (10.9) 7.356
11-H (10.9) 6.900
4-H 6.550
7-H 4.660
16-H 4.010
14-H 3.940
15-H 3.910
13-H 3.660
5-H 2.390, 2.520
16-H 1.970
6-H 1.956, 2.350
18-H

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Spectral Data   Additional Data   Download  
Type: H,H-COSY 600.0
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift ⇑
Atom
Shift
11 6.9 12 7.36
7 4.65 18 8.12
16 4.01 11 6.9
6 2.35 7 4.65
6 1.95 7 4.65
5 1.95 6 2.39

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Spectral Data   Additional Data   Download  
Type: H,C-HSQC 600.0
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift ⇑
Shift
8 7.63 130.5
12 7.36 135.6
11 6.9 112.9
4 6.53 107.4
7 4.65 52.7
16 4.01 56.5
14 3.94 61.4
15 3.91 56.2
13 3.66 61.6
5 2.52 29.9
5 2.39 29.9
6 2.35 36.5
16 1.97 22.8
6 1.95 36.5

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Spectral Data   Additional Data   Download  
Type: H,C-HMBC 600.0
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift ⇑
Atom
Shift
18 8.12 7 52.7
18 8.12 17 170.1
18 8.12 6 36.5
8 7.63 7 52.7
8 7.63 12a 137.0
8 7.63 7a 152.6
8 7.63 10 164.1
8 7.63 9 179.5
12 7.36 12b 125.6
12 7.36 12a 137.0
12 7.36 7a 152.6
12 7.36 10 164.1
11 6.9 12a 137.0
11 6.9 10 164.1
11 6.9 9 179.5
4 6.53 5 29.9
4 6.53 12b 125.6
4 6.53 2 141.7
4 6.53 1 151.2
4 6.53 3 153.6
4 6.53 4a 134.3
7 4.65 7a 152.6
7 4.65 6 36.5
7 4.65 8 130.5
7 4.65 12a 137.0
7 4.65 17 170.1
16 4.01 10 164.1
16 4.01 11 112.9
14 3.94 2 141.7
15 3.91 3 153.6
13 3.66 1 151.2
5 2.52 6 36.5
5 2.52 7 52.7
5 2.52 4 107.4
5 2.52 12b 125.6
5 2.52 4a 134.3
5 2.39 4a 134.3
5 2.39 12b 125.6
5 2.39 4 107.4
5 2.39 6 36.5
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift ⇑
Atom
Shift
6 2.35 5 29.9
6 2.35 7 52.7
6 2.35 7a 152.6
16 1.97 17 170.1
6 1.95 5 29.9
6 1.95 7 52.7
6 1.95 4a 134.3

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Spectral Data   Additional Data   Download  
Type: H,H-NOESY 125.0
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift ⇑
Atom
Shift
8 7.63 18 8.12
11 6.9 12 7.36
16 4.01 11 6.9
15 3.91 4 6.53
4 2.52 5 6.53
7 2.35 6 4.65
16 1.97 18 8.12

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DOI for this dataset: 10.18716/nmrshiftdb2/60000009/chiuz_cdcl3
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