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1-(2-fluorobenzyl)-3,7-dimethyl-8-(1H-tetraazol-5-yl)-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 1 MS (GC)

1-(2-fluorobenzyl)-3,7-dimethyl-8-(1H-tetraazol-5-yl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 4LnzKUxOrtX
InChI InChI=1S/C15H13FN8O2/c1-22-10-12(17-13(22)11-18-20-21-19-11)23(2)15(26)24(14(10)25)7-8-5-3-4-6-9(8)16/h3-6H,7H2,1-2H3,(H,18,19,20,21)
InChIKey CYJFRYVIGAFHRB-UHFFFAOYSA-N
Mol Weight 356.32 g/mol
Molecular Formula C15H13FN8O2
Exact Mass 356.11455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5haJUcc2S
Name 1-(2-fluorobenzyl)-3,7-dimethyl-8-(1H-tetraazol-5-yl)-3,7-dihydro-1H-purine-2,6-dione
Alternate Name(s) 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(2H-tetrazol-5-yl)purine-2,6-dione 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(2H-1,2,3,4-tetrazol-5-yl)purine-2,6-dione
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Formula C15H13FN8O2
InChI InChI=1S/C15H13FN8O2/c1-22-10-12(17-13(22)11-18-20-21-19-11)23(2)15(26)24(14(10)25)7-8-5-3-4-6-9(8)16/h3-6H,7H2,1-2H3,(H,18,19,20,21)
InChIKey CYJFRYVIGAFHRB-UHFFFAOYSA-N
Molecular Weight 356.321 g/mol
SMILES [nH]1c(nnn1)-c1[n](c2c(N(C)C(N(C2=O)Cc2c(F)cccc2)=O)n1)C
SPLASH splash10-0a4i-1914000000-07f9db560f17b46961d0
Source of Spectrum IY-3-5-0
Wiley ID 1717953