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8-Chloro-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 31KaurFoo0W
InChI InChI=1S/C14H12ClFN4O2/c1-18-11-10(12(21)19(2)14(18)22)20(13(15)17-11)7-8-5-3-4-6-9(8)16/h3-6H,7H2,1-2H3
InChIKey MJPHWHYVQFDTNS-UHFFFAOYSA-N
Mol Weight 322.73 g/mol
Molecular Formula C14H12ClFN4O2
Exact Mass 322.063282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ID339TXLx66
Name 8-Chloro-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS Registry Number 346597-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12ClFN4O2
InChI InChI=1S/C14H12ClFN4O2/c1-18-11-10(12(21)19(2)14(18)22)20(13(15)17-11)7-8-5-3-4-6-9(8)16/h3-6H,7H2,1-2H3
InChIKey MJPHWHYVQFDTNS-UHFFFAOYSA-N
Molecular Weight 322.727 g/mol
SMILES c12c([n](Cc3c(F)cccc3)c(n1)Cl)C(=O)N(C(N2C)=O)C
SPLASH splash10-0a4i-2900000000-ec9d905221d388aab483
Source of Spectrum AD-0-2532-0
Synonyms 8-Chloranyl-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione 8-Chloro-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine 8-Chloro-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl-
Wiley ID 1430031