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8-(4-fluorophenyl)-1,3-dimethyl-7H-purine-2,6-dione
SpectraBase Compound ID AAIUsxWYLxw
InChI InChI=1S/C13H11FN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)
InChIKey JPESVWUOVQWRQV-UHFFFAOYSA-N
Mol Weight 274.26 g/mol
Molecular Formula C13H11FN4O2
Exact Mass 274.086604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENpJFRCUFqf
Name 8-(4-fluorophenyl)-1,3-dimethyl-7H-purine-2,6-dione
Alternate Name(s) 8-(4-fluorophenyl)-1,3-dimethyl-7H-purine-2,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11FN4O2
InChI InChI=1S/C13H11FN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)
InChIKey JPESVWUOVQWRQV-UHFFFAOYSA-N
Molecular Weight 274.255 g/mol
SMILES [nH]1c(nc2c1C(N(C(N2C)=O)C)=O)-c1ccc(cc1)F
SPLASH splash10-00di-0190000000-01392a184467e47a8a11
Source of Spectrum H1-51-34-6
Wiley ID 817065