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Other tautomers of this molecule:

Spectral Data   Additional Data   Download  
Molecule
10016330
Chemical name(s)Hypoxanthine
Chemical formulaC5H4N4O
Molecular weight136.111
Number of double bond equivalents (DBEs)6.0
Number of all rings, size of smallest set of smallest rings3, 2
Canonical name(s)
CAS-Number 68-94-0
Additional information wikidata; NCI Database; ChEBI;
Links from Unichem: ChEMBL;ChEBI (Chemical Entities of Biological Interest).;PDBe (Protein Data Bank Europe);KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;eMolecules;eMolecules;eMolecules;eMolecules;eMolecules;Pu... (truncated)
Molecule keywords
DOI10.18716/nmrshiftdb2/10016330
13C Spectrum
10038328 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 comments641.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 S 168.03 155.3155.4161.66
3 D 151.71 144.5144.6148.1
5 S 160.85 153.2153.2157.03
6 S 125.10 119.2119.2122.15
8 D 151.37 140.2140.2145.78





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
expt-1
Speclib
Prediction 2
hose_lotusv7
1 S 155.4 155.3168.03161.66
3 D 144.6 144.5151.71148.1
5 S 153.2 153.2160.85157.03
6 S 119.2 119.2125.1122.15
8 D 140.2 140.2151.37145.78





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
expt-1
Speclib
Prediction 2
acd_lotusv7
1 S 161.66 155.3168.03155.4
3 D 148.10 144.5151.71144.6
5 S 157.03 153.2160.85153.2
6 S 122.15 119.2125.1119.2
8 D 145.78 140.2151.37140.2






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