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7-Benzyl-2,6-dichloro-7H-purine
SpectraBase Compound ID FERknZinFhn
InChI InChI=1S/C12H8Cl2N4/c13-10-9-11(17-12(14)16-10)15-7-18(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey XRCTVEFABOUQNI-UHFFFAOYSA-N
Mol Weight 279.13 g/mol
Molecular Formula C12H8Cl2N4
Exact Mass 278.012602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2Ax7IRPuOe
Name 7-Benzyl-2,6-dichloro-7H-purine
Comments Less than 3 mono-isotopic peaks
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Formula C12H8Cl2N4
InChI InChI=1S/C12H8Cl2N4/c13-10-9-11(17-12(14)16-10)15-7-18(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey XRCTVEFABOUQNI-UHFFFAOYSA-N
Molecular Weight 279.130 g/mol
SMILES c12c([n](Cc3ccccc3)cn1)c(Cl)nc(n2)Cl
SPLASH splash10-0006-9030000000-bfd2fc18a96767bf1dd0
Source of Spectrum F-52-5631-2
Synonyms 2,6-bis(chloranyl)-7-(phenylmethyl)purine 2,6-dichloro-7-(phenylmethyl)purine 7-benzyl-2,6-dichloro-purine
Wiley ID 796279