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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 T 30.26 32.030.26
2 T 31.37 33.631.37
3 D 55.52 56.155.52
4 Q 15.40 15.7215.4
5 S 175.48 171.31175.48





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Speclib
Prediction 1
hose_lotusv7
1 T 32.00 30.2630.26
2 T 33.60 31.3731.37
3 D 56.10 55.5255.52
4 Q 15.72 15.415.4
5 S 171.31 175.48175.48





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Speclib
Prediction 1
acd_lotusv7
1 T 30.26 30.2632.0
2 T 31.37 31.3733.6
3 D 55.52 55.5256.1
4 Q 15.40 15.415.72
5 S 175.48 175.48171.31





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 2.640
2-H 2.160
3-H 3.861
4-H 2.140
7-H
8-H






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