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(E)-ethyl 2-methyl-4-(naphthalen-2-yl)-4-oxo-3-(trifluoromethylthio)but-2-enoate
SpectraBase Compound ID 1ID3vjnPWBy
InChI InChI=1S/C18H15F3O3S/c1-3-24-17(23)11(2)16(25-18(19,20)21)15(22)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,3H2,1-2H3/b16-11+
InChIKey OYJZTOQSSNLZPY-LFIBNONCSA-N
Mol Weight 368.37 g/mol
Molecular Formula C18H15F3O3S
Exact Mass 368.0694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBdzaj7yniD
Name (E)-ethyl 2-methyl-4-(naphthalen-2-yl)-4-oxo-3-(trifluoromethylthio)but-2-enoate
Appearance Yellow oil
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Formula C18H15F3O3S
InChI InChI=1S/C18H15F3O3S/c1-3-24-17(23)11(2)16(25-18(19,20)21)15(22)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,3H2,1-2H3/b16-11+
InChIKey OYJZTOQSSNLZPY-LFIBNONCSA-N
Instrument Name IonSpec FT-ICR
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000304
Molecular Weight 368.370 g/mol
Reported Formula C18H15F3O3S
SMILES c12ccc(cc2cccc1)C(\C(=C\(C)C(OCC)=O)SC(F)(F)F)=O
SPLASH splash10-0a6r-0901000000-6d73a519706fae1302dd
Source of Spectrum ASC-362-SM7-2j
Wiley ID 1839325