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9-(4-Chlorobenzyl)-6-(3-phenoxypropa-1,2-dienyl)-9H-purine
SpectraBase Compound ID GP3oNiNZGeE
InChI InChI=1S/C21H15ClN4O/c22-17-10-8-16(9-11-17)13-26-15-25-20-19(23-14-24-21(20)26)7-4-12-27-18-5-2-1-3-6-18/h1-3,5-12,14-15H,13H2
InChIKey JAJFMWAYOWCDGC-UHFFFAOYSA-N
Mol Weight 374.83 g/mol
Molecular Formula C21H15ClN4O
Exact Mass 374.093439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjQeNaHSLok
Name 9-(4-Chlorobenzyl)-6-(3-phenoxypropa-1,2-dienyl)-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15ClN4O
InChI InChI=1S/C21H15ClN4O/c22-17-10-8-16(9-11-17)13-26-15-25-20-19(23-14-24-21(20)26)7-4-12-27-18-5-2-1-3-6-18/h1-3,5-12,14-15H,13H2
InChIKey JAJFMWAYOWCDGC-UHFFFAOYSA-N
Molecular Weight 374.831 g/mol
SMILES c1nc2c(ncnc2[n]1Cc1ccc(cc1)Cl)C=C=COc1ccccc1
SPLASH splash10-00b9-0439000000-53c021054f78af96bc81
Source of Spectrum F-62-6129-10
Synonyms 3-[9-(4-chlorobenzyl)-9H-purin-6-yl]-1,2-propadienyl phenyl ether 9-(4-Chlorobenzyl)-6-(3-phenoxy-1,2-propadienyl)-9H-purine
Wiley ID 1633897