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3-(2-Methylanilino)-1-(4-trifluoromethylphenyl)prop-2-en-1-thione
SpectraBase Compound ID 33uhgioRWS5
InChI InChI=1S/C17H14F3NS/c1-12-4-2-3-5-15(12)21-11-10-16(22)13-6-8-14(9-7-13)17(18,19)20/h2-11,21H,1H3/b11-10+
InChIKey UYJBQVLMHOSTPY-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 ELKpgGIksVK
Name 3-(2-Methylanilino)-1-(4-trifluoromethylphenyl)prop-2-en-1-thione
Alternate Name(s) (2E)-3-(2-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/c1-12-4-2-3-5-15(12)21-11-10-16(22)13-6-8-14(9-7-13)17(18,19)20/h2-11,21H,1H3/b11-10+
InChIKey UYJBQVLMHOSTPY-ZHACJKMWSA-N
Molecular Weight 321.361 g/mol
SMILES N(c1c(C)cccc1)\C=C\C(c1ccc(C(F)(F)F)cc1)=S
SPLASH splash10-00di-0049000000-38a963e476728d613d14
Source of Spectrum O1-30-1453-5
Wiley ID 818771