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(9-benzyl-6-chloro-purin-2-yl)amine
SpectraBase Compound ID 1mHjYo2EJ5u
InChI InChI=1S/C12H10ClN5/c13-10-9-11(17-12(14)16-10)18(7-15-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,16,17)
InChIKey XBAIDBLXRCQTCV-UHFFFAOYSA-N
Mol Weight 259.7 g/mol
Molecular Formula C12H10ClN5
Exact Mass 259.062473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JS9ShylCYQo
Name (9-benzyl-6-chloro-purin-2-yl)amine
Comments Less than 3 mono-isotopic peaks
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Formula C12H10ClN5
InChI InChI=1S/C12H10ClN5/c13-10-9-11(17-12(14)16-10)18(7-15-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,16,17)
InChIKey XBAIDBLXRCQTCV-UHFFFAOYSA-N
Molecular Weight 259.700 g/mol
SMILES Nc1nc(c2c([n](cn2)Cc2ccccc2)n1)Cl
SPLASH splash10-052f-8090000000-7458a2e5e12f13961491
Source of Spectrum F-52-5634-6
Synonyms 6-chloranyl-9-(phenylmethyl)purin-2-amine 6-chloro-9-(phenylmethyl)-2-purinamine 9-benzyl-6-chloro-9H-purin-2-amine 9-benzyl-6-chloro-purin-2-amine
Wiley ID 796277