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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Speclib
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 T 42.8 42.7442.542.77
2 S 173.6 173.58173.5173.59





Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 T 42.74 42.842.542.77
2 S 173.58 173.6173.5173.59





Spectral Data   Additional Data   Download  
13C Spectrum
60020391 Rating: 10
Type13C
Prediction conditions
ProgramACD/Labs C+H NMR Predictors and DB, 2020.1.0
Literature
Additional commentsID: 243; SMILES_ID: Q620730_1098; multplicities generated from proton count
Additional information
Spectrum categoriesacd_lotusv7



Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
expt-1
Speclib
Prediction 2
acd_lotusv7
1 T 42.77 42.842.7442.5
2 S 173.59 173.6173.58173.5





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 3.567
4-H
6-H






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