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This molecule with other stereoconfigurations:


General   acd_lotusv7/   hose_lotusv7/   NMReDATA_chemie koeln_Classics in Spectroscopy/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
chemie koeln;Classics in Spectroscopy;NMReDATA
Prediction 1
acd_lotusv7
Prediction 2
acd_lotusv7
Prediction 3
acd_lotusv7
Prediction 4
hose_lotusv7
Prediction 5
hose_lotusv7
Prediction 6
hose_lotusv7
1 D 122.3 122.46122.22122.22122.22122.3122.3122.3
2 D 108.2 108.36108.24108.24108.24108.2108.2108.2
3 S 148.1 148.2148.0148.0148.0147.94147.94147.94
4 S 148.0 148.14148.02148.02148.02148.0148.0148.0
5 D 105.5 105.77105.54105.54105.54105.5105.5105.5
6 S 130.9 130.85130.94130.94130.94130.9130.9130.9
7 D 137.9 137.86137.84137.84137.84136.61136.61136.61
8 D 125.1 125.19125.22125.22125.22123.34123.34123.34
9 D 142.1 142.59142.15142.15142.15142.1142.1142.1
10 D 120.0 120.08120.02120.02120.02120.0120.0120.0
11 S 165.1 165.13164.82164.82164.82165.1165.1165.1
14 T 46.3 46.5746.0846.0846.0844.844.844.8
15 T 25.8 25.6526.0226.0226.0225.925.925.9
16 T 24.4 24.8324.724.724.724.524.524.5
17 T 25.8 27.0225.7725.7725.7725.925.925.9
18 T 43.3 43.443.2843.2843.2844.844.844.8
20 T 101.0 100.8101.1101.1101.1101.26101.26101.26





Spectral Data   Additional Data   Download  
Type: H,H-NOESY 399.9519958496094
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
14 3.54 15 1.6
14 3.54 17 1.58
18 3.62 17 1.58
18 3.62 15 1.6
10 6.43 14 3.54
10 6.43 18 3.62
2 6.78 1 6.89

Show spectrum in full size

Spectral Data   Additional Data   Download  
Type: H,H-NOESY 399.9519958496094
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
14 3.54 15 1.6
14 3.54 17 1.58
18 3.62 17 1.58
18 3.62 15 1.6
10 6.43 14 3.54
10 6.43 18 3.62
2 6.78 1 6.89

Show spectrum in full size

Spectral Data   Additional Data   Download  
Type: H,H-NOESY 399.9519958496094
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
14 3.54 15 1.6
14 3.54 17 1.58
18 3.62 17 1.58
18 3.62 15 1.6
10 6.43 14 3.54
10 6.43 18 3.62
2 6.78 1 6.89

Show spectrum in full size


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