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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 wikidata; ChEBI;
Links from Unichem: PDBe (Protein Data Bank Europe);ChEMBL;KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological Interest).;eMolecules;eMolecules;eMolecules;eMolecules;eMolecules;Pr... (truncated)
Molecule keywords
DOI10.18716/nmrshiftdb2/10025984
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
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
2 S 160.10 160.1159.54154.68
3 S 162.30 162.2
6 S 119.65 119.6120.82136.58
8 S 168.89 168.8140.55144.63
10 D 150.15 150.1149.67150.46





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Speclib
expt-1
ocmainz inhouse-2
Prediction 2
hose_lotusv7
2 S 159.54 160.1160.1154.68
4 S 163.37 157.78
6 S 120.82 119.65119.6136.58
8 D 140.55 168.89168.8144.63
10 S 149.67 150.15150.1150.46





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Speclib
expt-1
ocmainz inhouse-2
Prediction 2
acd_lotusv7
2 S 154.68 160.1160.1159.54
4 S 157.78 163.37
6 S 136.58 119.65119.6120.82
8 D 144.63 168.89168.8140.55
10 S 150.46 150.15150.1149.67





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
4-H
5-H
7-H
10-H 8.751






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