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2-chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one
SpectraBase Compound ID AIGZwPwbS3Q
InChI InChI=1S/C7H7ClN4O/c1-11-3-9-5-4(11)6(13)12(2)7(8)10-5/h3H,1-2H3
InChIKey BLSBCAJHDNITIC-UHFFFAOYSA-N
Mol Weight 198.61 g/mol
Molecular Formula C7H7ClN4O
Exact Mass 198.030839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjcrApcvrp4
Name 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one
CAS Registry Number 16017-75-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7ClN4O
InChI InChI=1S/C7H7ClN4O/c1-11-3-9-5-4(11)6(13)12(2)7(8)10-5/h3H,1-2H3
InChIKey BLSBCAJHDNITIC-UHFFFAOYSA-N
Molecular Weight 198.613 g/mol
SMILES c12c(C(=O)N(C(=N2)Cl)C)[n](C)cn1
SPLASH splash10-03xs-5900000000-73290521b7ae8f8ffb64
Source of Spectrum AD-0-2532-0
Synonyms 2-Chloranyl-1,7-dimethyl-purin-6-one 2-Chloro-1,7-dimethyl-6-purinone 2-Chloro-1,7-dimethyl-purin-6-one Purin-6(1H)-one, 2-chloro-1,7-dimethyl-
Wiley ID 1423531