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2-{3-[9-(4-Chlorobenzyl)-9H-purin-6-yl]-2-propynyl}phenol
SpectraBase Compound ID Da6yGBEQyto
InChI InChI=1S/C21H15ClN4O/c22-17-10-8-15(9-11-17)12-26-14-25-20-18(23-13-24-21(20)26)6-3-5-16-4-1-2-7-19(16)27/h1-2,4,7-11,13-14,27H,5,12H2
InChIKey FIRIORDHKCKXDK-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 Axd1fqLLLSx
Name 2-{3-[9-(4-Chlorobenzyl)-9H-purin-6-yl]-2-propynyl}phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15ClN4O
InChI InChI=1S/C21H15ClN4O/c22-17-10-8-15(9-11-17)12-26-14-25-20-18(23-13-24-21(20)26)6-3-5-16-4-1-2-7-19(16)27/h1-2,4,7-11,13-14,27H,5,12H2
InChIKey FIRIORDHKCKXDK-UHFFFAOYSA-N
Molecular Weight 374.831 g/mol
SMILES Oc1c(cccc1)CC#Cc1ncnc2[n](cnc12)Cc1ccc(cc1)Cl
SPLASH splash10-00ba-0569000000-5a6bae89017e19b1311a
Source of Spectrum F-62-6128-9
Wiley ID 1633903