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1-(5-Methyl-2-phenyl-2H-pyrazol-3-yl)-3-(3,3,3-trifluoro-1-pentafluoroethyl-2-trifluoromethyl-propenyl)-thiourea
SpectraBase Compound ID Qo5DIRrDm5
InChI InChI=1S/C17H11F11N4S/c1-8-7-10(32(31-8)9-5-3-2-4-6-9)29-13(33)30-12(14(18,19)17(26,27)28)11(15(20,21)22)16(23,24)25/h2-7H,1H3,(H2,29,30,33)
InChIKey GQNGWWOHGAVYDR-UHFFFAOYSA-N
Mol Weight 512.35 g/mol
Molecular Formula C17H11F11N4S
Exact Mass 512.052877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LAoyaR72US
Name 1-(5-Methyl-2-phenyl-2H-pyrazol-3-yl)-3-(3,3,3-trifluoro-1-pentafluoroethyl-2-trifluoromethyl-propenyl)-thiourea
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Formula C17H11F11N4S
InChI InChI=1S/C17H11F11N4S/c1-8-7-10(32(31-8)9-5-3-2-4-6-9)29-13(33)30-12(14(18,19)17(26,27)28)11(15(20,21)22)16(23,24)25/h2-7H,1H3,(H2,29,30,33)
InChIKey GQNGWWOHGAVYDR-UHFFFAOYSA-N
Molecular Weight 512.345 g/mol
SMILES N(c1[n](nc(c1)C)-c1ccccc1)C(NC(C(C(F)(F)F)(F)F)=C(C(F)(F)F)C(F)(F)F)=S
SPLASH splash10-0229-5912540000-0394a8b06a530ab013af
Synonyms N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-N'-[3,3,3-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1-propenyl]thiourea
Wiley ID 1436736