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9-Methyl-6-chloro-8-[(p-methanesulfonyl)phenyl]-9H-purine
SpectraBase Compound ID 7LiEcVjkbsY
InChI InChI=1S/C13H11ClN4O2S/c1-18-12(17-10-11(14)15-7-16-13(10)18)8-3-5-9(6-4-8)21(2,19)20/h3-7H,1-2H3
InChIKey MTWPRJSSFHFHBY-UHFFFAOYSA-N
Mol Weight 322.77 g/mol
Molecular Formula C13H11ClN4O2S
Exact Mass 322.029124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gMqO81pRfM
Name 9-Methyl-6-chloro-8-[(p-methanesulfonyl)phenyl]-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11ClN4O2S
InChI InChI=1S/C13H11ClN4O2S/c1-18-12(17-10-11(14)15-7-16-13(10)18)8-3-5-9(6-4-8)21(2,19)20/h3-7H,1-2H3
InChIKey MTWPRJSSFHFHBY-UHFFFAOYSA-N
Molecular Weight 322.770 g/mol
SMILES c1([n](c2c(n1)c(ncn2)Cl)C)-c1ccc(S(=O)(=O)C)cc1
SPLASH splash10-00di-1039000000-1a2f7ecbaa5352a5c090
Source of Spectrum AF-48-720-48
Synonyms 6-Chloro-9-methyl-8-(4-methylsulfonylphenyl)purine 6-Chloranyl-9-methyl-8-(4-methylsulfonylphenyl)purine
Wiley ID 1713910