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Other tautomers of this molecule:

Spectral Data   Additional Data   Download  
Molecule
10016178
Chemical name(s)1H-pyridin-2-one
Chemical formulaC5H5NO
Molecular weight95.0993
Number of double bond equivalents (DBEs)4.0
Number of all rings, size of smallest set of smallest rings1, 1
Canonical name(s)
CAS-Number
Additional information wikidata; ChEBI;
Links from Unichem: Nikkaji;BindingDB;PubChem Compounds;Mcule;SureChEMBL;MolPort;MolPort;ZINC;PDBe (Protein Data Bank Europe);EPA (Environmental Protection Agency) CompTox Dashboard;ChEMBL;ChEBI (Chemical Entities of Bio... (truncated)
Molecule keywords
DOI10.18716/nmrshiftdb2/10016178
13C Spectrum
10038157 Rating: 10
Type13C
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature Stefan Berger; S. Braun; H.-O. Kalinowski: 13-C-NMR-Spektroskopie, New York: Thieme Verlag 1984.
Additional comments465.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories



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  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
expt-1
ocmainz inhouse-2
Prediction 2
hose_lotusv7
2 S 164.50 106.5106.7164.5
3 D 107.00 136.1135.2107.0
4 D 136.60 136.6
5 D 118.95 165.0162.3121.1
6 D 142.80 120.8120.1142.8

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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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