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(E)-3-[3,5-bis(trifluoromethyl)anilino]-2-(2-chlorophenyl)sulfonyl-2-propenenitrile
SpectraBase Compound ID 1llw97JLPA
InChI InChI=1S/C17H9ClF6N2O2S/c18-14-3-1-2-4-15(14)29(27,28)13(8-25)9-26-12-6-10(16(19,20)21)5-11(7-12)17(22,23)24/h1-7,9,26H/b13-9+
InChIKey QIOSIKFRRAOTCM-UKTHLTGXSA-N
Mol Weight 454.77 g/mol
Molecular Formula C17H9ClF6N2O2S
Exact Mass 453.997745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuzixvmFI7L
Name (E)-3-[3,5-bis(trifluoromethyl)anilino]-2-(2-chlorophenyl)sulfonyl-2-propenenitrile
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Formula C17H9ClF6N2O2S
InChI InChI=1S/C17H9ClF6N2O2S/c18-14-3-1-2-4-15(14)29(27,28)13(8-25)9-26-12-6-10(16(19,20)21)5-11(7-12)17(22,23)24/h1-7,9,26H/b13-9+
InChIKey QIOSIKFRRAOTCM-UKTHLTGXSA-N
Molecular Weight 454.774 g/mol
SMILES N(\C=C/(S(c1c(Cl)cccc1)(=O)=O)C#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
SPLASH splash10-06vi-4971200000-875e4fdf02e1541679cb
Synonyms (E)-3-[3,5-bis(trifluoromethyl)anilino]-2-(2-chlorophenyl)sulfonyl-acrylonitrile (E)-3-[3,5-bis(trifluoromethyl)anilino]-2-(2-chlorophenyl)sulfonyl-prop-2-enenitrile (E)-3-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-(2-chlorophenyl)sulfonyl-prop-2-enenitrile
Wiley ID 1446539