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9-(p-Fluorobenzyl)-6-[(p-fluorophenyl)thio]-9H-purine
SpectraBase Compound ID BpSEvOrj2XG
InChI InChI=1S/C18H12F2N4S/c19-13-3-1-12(2-4-13)9-24-11-23-16-17(24)21-10-22-18(16)25-15-7-5-14(20)6-8-15/h1-8,10-11H,9H2
InChIKey UIIFEOZVIUNDKF-UHFFFAOYSA-N
Mol Weight 354.38 g/mol
Molecular Formula C18H12F2N4S
Exact Mass 354.075074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HCoH3a6RGO
Name 9-(p-Fluorobenzyl)-6-[(p-fluorophenyl)thio]-9H-purine
Alternate Name(s) 9-[(4-fluorophenyl)methyl]-6-[(4-fluorophenyl)thio]purine 9-[(4-fluorophenyl)methyl]-6-(4-fluorophenyl)sulfanylpurine 9-[(4-fluorophenyl)methyl]-6-(4-fluorophenyl)sulfanyl-purine
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Formula C18H12F2N4S
InChI InChI=1S/C18H12F2N4S/c19-13-3-1-12(2-4-13)9-24-11-23-16-17(24)21-10-22-18(16)25-15-7-5-14(20)6-8-15/h1-8,10-11H,9H2
InChIKey UIIFEOZVIUNDKF-UHFFFAOYSA-N
Molecular Weight 354.379 g/mol
SMILES c12c([n](Cc3ccc(cc3)F)cn1)ncnc2Sc1ccc(cc1)F
SPLASH splash10-0a4i-2925000000-a1e169567d5949562d20
Source of Spectrum AF-48-721-60
Wiley ID 1713906