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Other tautomers of this molecule:

Spectral Data   Additional Data   Download  
Type: 13C Unreported Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 D 142.0 140.8
2 D 106.5 106.7164.5164.5
3 D 136.1 135.2107.0107.0
5 S 165.0 162.3118.95121.1
6 D 120.8 120.1142.8142.8

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Spectral Data   Additional Data   Download  
Type: 13C Unreported Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 D 140.8 142.0
2 D 106.7 106.5164.5164.5
3 D 135.2 136.1107.0107.0
5 S 162.3 165.0118.95121.1
6 D 120.1 120.8142.8142.8

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Spectral Data   Additional Data   Download  
13C Spectrum
60021967 Rating: 10
Type13C
Prediction conditions
ProgramACD/Labs C+H NMR Predictors and DB, 2020.1.0
Literature
Additional commentsID: 1826; SMILES_ID: Q209474_7868; multplicities generated from proton count
Additional information
Spectrum categoriesacd_lotusv7



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
expt-1
ocmainz inhouse-2
Prediction 2
acd_lotusv7
2 S 164.5 106.5106.7164.5
3 D 107.0 136.1135.2107.0
4 D 136.6 136.6
5 D 121.1 165.0162.3118.95
6 D 142.8 120.8120.1142.8

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Spectral Data   Additional Data   Download  
Type: 1H Unreported Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 7.487
2-H 6.303
3-H 7.421
4-H 13.650 (H 8)
6-H 6.599

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