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(E)-4,4,4-trifluoro-1-(p-methoxyphenyl)-2-(p-tolylthio)but-2-en-1-ol
SpectraBase Compound ID He7RBV8mP13
InChI InChI=1S/C18H17F3O2S/c1-12-3-9-15(10-4-12)24-16(11-18(19,20)21)17(22)13-5-7-14(23-2)8-6-13/h3-11,17,22H,1-2H3/b16-11+
InChIKey QNVKVXLSOIHNFK-LFIBNONCSA-N
Mol Weight 354.39 g/mol
Molecular Formula C18H17F3O2S
Exact Mass 354.090135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlDrQdNchNd
Name (E)-.beta.-(trifluoromethyl)-.alpha.-[1-hydroxy-(4-methoxyphenyl)methyl]vinyl p-tolylsulfide
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Formula C18H17F3O2S
InChI InChI=1S/C18H17F3O2S/c1-12-3-9-15(10-4-12)24-16(11-18(19,20)21)17(22)13-5-7-14(23-2)8-6-13/h3-11,17,22H,1-2H3/b16-11+
InChIKey QNVKVXLSOIHNFK-LFIBNONCSA-N
Instrument Name JEOL JMS-AWII15
Ionization Type EI
Molecular Weight 354.387 g/mol
SMILES OC(\C(=C/C(F)(F)F)Sc1ccc(cc1)C)c1ccc(cc1)OC
SPLASH splash10-000i-5900000000-2ef29780425aed459d66
Source of Spectrum JP5198020B2
Thin-Layer Chromatography Rf = 0.57 (hexane/ethyl acetate, 3:1)
Wiley ID 1855081