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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
1H Spectrum
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Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 S 179.36 174.7
2 T 34.40 33.8
3 T 24.80 25.63
4 T 29.19 29.52
5 T 29.49 29.62
6 T 29.62 29.7
7 T 29.56 29.62
8 T 29.27 29.42
9 T 29.00 29.07
10 T 29.00 29.04
11 T 29.34 28.72
12 T 31.89 32.04
13 T 22.63 22.15
14 Q 14.21 13.97





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 S 174.70 179.36
2 T 33.80 34.4
3 T 25.63 24.8
4 T 29.52 29.19
5 T 29.62 29.49
6 T 29.70 29.62
7 T 29.62 29.56
8 T 29.42 29.27
9 T 29.07 29.0
10 T 29.04 29.0
11 T 28.72 29.34
12 T 32.04 31.89
13 T 22.15 22.63
14 Q 13.97 14.21






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