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3-(4-Methylanilino)-1-(4-trifluoromethylphenyl)prop-2-en-1-thione
SpectraBase Compound ID LU4s9BASEZ4
InChI InChI=1S/C17H14F3NS/c1-12-2-8-15(9-3-12)21-11-10-16(22)13-4-6-14(7-5-13)17(18,19)20/h2-11,21H,1H3/b11-10+
InChIKey OKORDUAYLVKACC-ZHACJKMWSA-N
Mol Weight 321.36 g/mol
Molecular Formula C17H14F3NS
Exact Mass 321.079905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KkEPpw6Da3
Name 3-(4-Methylanilino)-1-(4-trifluoromethylphenyl)prop-2-en-1-thione
Alternate Name(s) (2E)-3-(4-toluidino)-1-[4-(trifluoromethyl)phenyl]-2-propene-1-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14F3NS
InChI InChI=1S/C17H14F3NS/c1-12-2-8-15(9-3-12)21-11-10-16(22)13-4-6-14(7-5-13)17(18,19)20/h2-11,21H,1H3/b11-10+
InChIKey OKORDUAYLVKACC-ZHACJKMWSA-N
Molecular Weight 321.361 g/mol
SMILES N(\C=C\C(c1ccc(C(F)(F)F)cc1)=S)c1ccc(cc1)C
SPLASH splash10-00di-1059000000-dc711ebe7b5b2e10209c
Source of Spectrum O1-30-1453-5
Wiley ID 818770