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1-(9-benzyl-9H-purin-6-yl)ethanone
SpectraBase Compound ID AuwKvJ8uga0
InChI InChI=1S/C14H12N4O/c1-10(19)12-13-14(16-8-15-12)18(9-17-13)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3
InChIKey HQHRLHYIYCJQLV-UHFFFAOYSA-N
Mol Weight 252.28 g/mol
Molecular Formula C14H12N4O
Exact Mass 252.101111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Zlajt4596L
Name 1-(9-benzyl-9H-purin-6-yl)ethanone
Alternate Name(s) 1-(9-benzylpurin-6-yl)ethanone 1-[9-(phenylmethyl)-6-purinyl]ethanone 1-[9-(phenylmethyl)purin-6-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N4O
InChI InChI=1S/C14H12N4O/c1-10(19)12-13-14(16-8-15-12)18(9-17-13)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3
InChIKey HQHRLHYIYCJQLV-UHFFFAOYSA-N
Molecular Weight 252.277 g/mol
SMILES c12c([n](Cc3ccccc3)cn1)ncnc2C(=O)C
SPLASH splash10-0gvo-5190000000-b7ade14a7685128083ba
Source of Spectrum F-50-9753-6
Wiley ID 1255489