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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C 100.0
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 S 127.74 127.49127.63
1' D 71.95 71.9772.65
2 D 115.12 115.05114.95
2' T 38.17 38.238.4
3 S 149.58 145.71145.74
3' S 73.38 76.9171.9
4 S 147.08 148.51149.0
4' T 38.69 38.438.13
5 D 116.43 116.54116.28
5' D 71.22 71.570.25
6 D 123.00 123.08121.95
6' D 76.09 73.676.7
7 D 146.79 146.77147.7
7' S 177.03 179.51180.6
8 D 115.19 115.36114.6
9 S 168.62 169.17168.0





Spectral Data   Additional Data   Download  
1H Spectrum
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Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1 T 38.40 38.6938.13
2 D 71.50 71.2270.25
3 D 73.60 76.0976.7
4 D 71.97 71.9572.65
5 T 38.20 38.1738.4
6 S 76.91 73.3871.9
7 S 179.51 177.03180.6
12 S 169.17 168.62168.0
14 D 115.36 115.19114.6
15 D 146.77 146.79147.7
16 S 127.49 127.74127.63
17 D 115.05 115.12114.95
18 S 145.71 149.58145.74
19 S 148.51 147.08149.0
20 D 116.54 116.43116.28
21 D 123.08 123.0121.95





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1 T 38.13 38.6938.4
2 D 70.25 71.2271.5
3 D 76.70 76.0973.6
4 D 72.65 71.9571.97
5 T 38.40 38.1738.2
6 S 71.90 73.3876.91
7 S 180.60 177.03179.51
12 S 168.00 168.62169.17
14 D 114.60 115.19115.36
15 D 147.70 146.79146.77
16 S 127.63 127.74127.49
17 D 114.95 115.12115.05
18 S 145.74 149.58145.71
19 S 149.00 147.08148.51
20 D 116.28 116.43116.54
21 D 121.95 123.0123.08






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