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(E)-ethyl 2-methyl-4-oxo-4-p-tolyl-3-(trifluoromethylthio)but-2-enoate
SpectraBase Compound ID 7hYi4kRx4TL
InChI InChI=1S/C15H15F3O3S/c1-4-21-14(20)10(3)13(22-15(16,17)18)12(19)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3/b13-10+
InChIKey TYAWAAWETSWXQY-JLHYYAGUSA-N
Mol Weight 332.34 g/mol
Molecular Formula C15H15F3O3S
Exact Mass 332.0694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jrvoj5CtYQB
Name (E)-ethyl 2-methyl-4-oxo-4-p-tolyl-3-(trifluoromethylthio)but-2-enoate
Appearance Red oil
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Formula C15H15F3O3S
InChI InChI=1S/C15H15F3O3S/c1-4-21-14(20)10(3)13(22-15(16,17)18)12(19)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3/b13-10+
InChIKey TYAWAAWETSWXQY-JLHYYAGUSA-N
Instrument Name IonSpec FT-ICR
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000304
Molecular Weight 332.337 g/mol
Reported Formula C15H15F3O3S
SMILES c1(ccc(cc1)C(\C(=C\(C)C(OCC)=O)SC(F)(F)F)=O)C
SPLASH splash10-014i-3930000000-6435c3c141c548a2bf41
Source of Spectrum ASC-362-SM5-2c
Wiley ID 1839318