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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
1 S 151.2
2 S 141.7
3 S 153.6
4 D 107.4
4a S 134.3
5 T 29.9
6 T 36.5
7 D 52.7
7a S 152.6
8 D 130.5
9 S 179.5
10 S 164.1
11 D 112.9
12 D 135.6
12a S 137.0
12b S 125.6
13 Q 61.6
14 Q 61.4
15 Q 56.2
16 S 170.1
17 Q 22.8
18 Q 56.5

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

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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
6 1.95 7 4.65
5 1.95 6 2.39
6 2.35 7 4.65
18 4.01 11 6.9
7 4.65 18 8.12
11 6.9 12 7.36

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Spectral Data   Additional Data   Download  
Type: H,C-HSQC 600.0
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Shift
6 1.95 36.5
17 1.97 22.8
6 2.35 36.5
5 2.39 29.9
5 2.52 29.9
13 3.66 61.6
15 3.91 56.2
14 3.94 61.4
18 4.01 56.5
7 4.65 52.7
4 6.53 107.4
11 6.9 112.9
12 7.36 135.6
8 7.63 130.5

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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
6 1.95 5 29.9
6 1.95 7 52.7
6 1.95 4a 134.3
17 1.97 16 170.1
6 2.35 5 29.9
6 2.35 7 52.7
6 2.35 7a 152.6
5 2.39 4a 134.3
5 2.39 12b 125.6
5 2.39 4 107.4
5 2.39 6 36.5
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
13 3.66 1 151.2
15 3.91 3 153.6
14 3.94 2 141.7
18 4.01 10 164.1
18 4.01 11 112.9
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 16 170.1
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
11 6.9 12a 137.0
11 6.9 10 164.1
11 6.9 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
8 7.63 7 52.7
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift
8 7.63 12a 137.0
8 7.63 7a 152.6
8 7.63 10 164.1
8 7.63 9 179.5
18 8.12 7 52.7
18 8.12 16 170.1
18 8.12 6 36.5

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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
18 1.97 17 8.12
6 2.35 7 4.65
5 2.52 4 6.53
4 3.91 15 6.53
11 4.01 18 6.9
12 6.9 11 7.36
18 7.63 8 8.12

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