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9-Benzyl-8-bromo-6-chloro-9H-purine
SpectraBase Compound ID CQjUQoVWRTC
InChI InChI=1S/C12H8BrClN4/c13-12-17-9-10(14)15-7-16-11(9)18(12)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey WMRLBFWIDYXGNE-UHFFFAOYSA-N
Mol Weight 323.58 g/mol
Molecular Formula C12H8BrClN4
Exact Mass 321.962087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYZRsyHaymx
Name 9-Benzyl-8-bromo-6-chloro-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8BrClN4
InChI InChI=1S/C12H8BrClN4/c13-12-17-9-10(14)15-7-16-11(9)18(12)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey WMRLBFWIDYXGNE-UHFFFAOYSA-N
Molecular Weight 323.581 g/mol
SMILES c1([n](c2c(n1)c(ncn2)Cl)Cc1ccccc1)Br
SPLASH splash10-0006-9053000000-318e1244e545c25017ca
Source of Spectrum F4-45-3033-3e
Synonyms 8-Bromo-6-chloro-9-(phenylmethyl)purine 9-Benzyl-8-bromo-6-chloropurine 8-Bromanyl-6-chloranyl-9-(phenylmethyl)purine
Wiley ID 1741869