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5-Methyl-2-phenyl-4-(1,3,3,3-tetrafluoro-2-trifluoromethyl-propenylsulfanyl)-1,2-dihydro-pyrazol-3-one
SpectraBase Compound ID DFwkuc9nlsb
InChI InChI=1S/C14H9F7N2OS/c1-7-9(12(24)23(22-7)8-5-3-2-4-6-8)25-11(15)10(13(16,17)18)14(19,20)21/h2-6,22H,1H3
InChIKey PVFAYUYNWUIUJN-UHFFFAOYSA-N
Mol Weight 386.29 g/mol
Molecular Formula C14H9F7N2OS
Exact Mass 386.032381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBCvyFpWHTK
Name 5-Methyl-2-phenyl-4-(1,3,3,3-tetrafluoro-2-trifluoromethyl-propenylsulfanyl)-1,2-dihydro-pyrazol-3-one
Alternate Name(s) 5-Methyl-2-phenyl-4-([1,3,3,3-tetrafluoro-2-(trifluoromethyl)-1-propenyl]sulfanyl)-1,2-dihydro-3H-pyrazol-3-one 5-Methyl-2-phenyl-4-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]sulfanyl-1H-pyrazol-3-one 5-Methyl-2-phenyl-4-[1,3,3,3-tetrakis(fluoranyl)-2-(trifluoromethyl)prop-1-enyl]sulfanyl-1H-pyrazol-3-one 5-Methyl-2-phenyl-4-[[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]thio]-1H-pyrazol-3-one 5-Methyl-2-phenyl-4-[[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]thio]-3-pyrazolin-3-one
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Formula C14H9F7N2OS
InChI InChI=1S/C14H9F7N2OS/c1-7-9(12(24)23(22-7)8-5-3-2-4-6-8)25-11(15)10(13(16,17)18)14(19,20)21/h2-6,22H,1H3
InChIKey PVFAYUYNWUIUJN-UHFFFAOYSA-N
Molecular Weight 386.288 g/mol
SMILES N1N(C(C(=C1C)SC(=C(C(F)(F)F)C(F)(F)F)F)=O)c1ccccc1
SPLASH splash10-00or-9613000000-52d8196b987c954e4d06
Wiley ID 1464566