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Spectral Data   Additional Data   Download  
Molecule
10025984
Chemical name(s)Guanine
Chemical formulaC5H5N5O
Molecular weight151.126
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
Additional information ChEBI;
Links from Unichem: ChEMBL;DrugBank;PDBe (Protein Data Bank Europe);Guide to Pharmacology;KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological Interest).;ZINC;eMolecules;eMolecules... (truncated)
Molecule keywords
DOI
13C Spectrum
20073923 Rating: 10
Type13C
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature
Additional comments4151.MOL.2; Multiplicities generated automatically from H count
Additional information
Spectrum categoriesocmainz inhouse-2



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
ocmainz inhouse-2
2 S 160.10 160.1
3 S 162.30 162.2
6 S 119.65 119.6
8 S 168.89 168.8
10 D 150.15 150.1

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Spectral Data   Additional Data   Download  
Type: 1H Unreported Double click to get resizeable window!
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
4-H
5-H
7-H
10-H 8.751

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