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Spectral Data   Additional Data   Download  
Molecule
20181307
Chemical name(s)2-(1H-indol-3-yl)acetonitrile
Chemical formulaC10H8N2
Molecular weight156.184
Number of double bond equivalents (DBEs)8.0
Number of all rings, size of smallest set of smallest rings3, 2
Canonical name(s)
CAS-Number
Additional information ChEBI;
Links from Unichem: ChEMBL;KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological Interest).;ZINC;eMolecules;IBM strategic IP insight platform and the National Institutes of Health;I... (truncated)
Molecule keywords
13C Spectrum
20192757 Rating: 10
Type13C
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature
Additional comments12226.MOLD.D3; multplicities generated from proton count
Additional information
Spectrum categoriesocmainz inhouse-2




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