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6-Amino-1-methyl-9-(phenylmethyl)-2-purinone
SpectraBase Compound ID CXFQYaVuIQ9
InChI InChI=1S/C13H13N5O/c1-17-11(14)10-12(16-13(17)19)18(8-15-10)7-9-5-3-2-4-6-9/h2-6,8H,7,14H2,1H3
InChIKey KFBJOCJUXQCELH-UHFFFAOYSA-N
Mol Weight 255.28 g/mol
Molecular Formula C13H13N5O
Exact Mass 255.11201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYM9pfnJQH4
Name 6-Amino-1-methyl-9-(phenylmethyl)-2-purinone
Alternate Name(s) 6-Amino-9-benzyl-1-methyl-purin-2-one 6-Azanyl-1-methyl-9-(phenylmethyl)purin-2-one
CAS Registry Number 103681-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N5O
InChI InChI=1S/C13H13N5O/c1-17-11(14)10-12(16-13(17)19)18(8-15-10)7-9-5-3-2-4-6-9/h2-6,8H,7,14H2,1H3
InChIKey KFBJOCJUXQCELH-UHFFFAOYSA-N
Molecular Weight 255.281 g/mol
SMILES NC=1N(C(=O)N=C2C1N=CN2Cc1ccccc1)C
SPLASH splash10-0006-9140000000-dc2bc302b6f119b469d1
Source of Spectrum Y-22-955-7
Wiley ID 1258726