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8-(4-Chlorophenyl)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
SpectraBase Compound ID Jriq754ssoi
InChI InChI=1S/C14H13ClN4O2/c1-17-10-12(18(2)14(21)19(3)13(10)20)16-11(17)8-4-6-9(15)7-5-8/h4-7H,1-3H3
InChIKey ZIBOTMXRMHPZEC-UHFFFAOYSA-N
Mol Weight 304.74 g/mol
Molecular Formula C14H13ClN4O2
Exact Mass 304.072703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVsdKUtPKUY
Name 8-(4-Chlorophenyl)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13ClN4O2
InChI InChI=1S/C14H13ClN4O2/c1-17-10-12(18(2)14(21)19(3)13(10)20)16-11(17)8-4-6-9(15)7-5-8/h4-7H,1-3H3
InChIKey ZIBOTMXRMHPZEC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol900342a
Molecular Weight 304.737 g/mol
SMILES C1(N(C(c2c(N1C)nc([n]2C)-c1ccc(cc1)Cl)=O)C)=O
SPLASH splash10-0zfr-2009000000-624cf58d17c36c9ac2c7
Source of Spectrum A1-11-1837/SM13-14a
Synonyms 8-(4-Chlorophenyl)-1,3,7-trimethylpurine-2,6-dione 8-(4-Chlorophenyl)-1,3,7-trimethyl-purine-2,6-dione
Wiley ID 1756693