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3-Benzylsulfanyl-5-fluoro-1-phenyl-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID C3bCpE84BuT
InChI InChI=1S/C17H12FN3S/c18-16-15(11-19)17(22-12-13-7-3-1-4-8-13)20-21(16)14-9-5-2-6-10-14/h1-10H,12H2
InChIKey MIFAQQYXOXOCNB-UHFFFAOYSA-N
Mol Weight 309.36 g/mol
Molecular Formula C17H12FN3S
Exact Mass 309.073597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7L6AX0mE2Xi
Name 3-Benzylsulfanyl-5-fluoro-1-phenyl-1H-pyrazole-4-carbonitrile
Alternate Name(s) 3-(benzylthio)-5-fluoro-1-phenyl-pyrazole-4-carbonitrile 3-Benzylsulfanyl-5-fluoro-1-phenyl-pyrazole-4-carbonitrile 5-Fluoranyl-1-phenyl-3-(phenylmethylsulfanyl)pyrazole-4-carbonitrile 5-Fluoro-1-phenyl-3-(phenylmethylthio)-4-pyrazolecarbonitrile
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Formula C17H12FN3S
InChI InChI=1S/C17H12FN3S/c18-16-15(11-19)17(22-12-13-7-3-1-4-8-13)20-21(16)14-9-5-2-6-10-14/h1-10H,12H2
InChIKey MIFAQQYXOXOCNB-UHFFFAOYSA-N
Molecular Weight 309.362 g/mol
SMILES C(c1c([n](nc1SCc1ccccc1)-c1ccccc1)F)#N
SPLASH splash10-0006-9110000000-5139eb27574e0d115835
Wiley ID 1464362