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(E)-ethyl 2-methyl-4-oxo-4-(thiophen-2-yl)-3-(trifluoromethylthio)but-2-enoate
SpectraBase Compound ID AKLjtgxtze7
InChI InChI=1S/C12H11F3O3S2/c1-3-18-11(17)7(2)10(20-12(13,14)15)9(16)8-5-4-6-19-8/h4-6H,3H2,1-2H3/b10-7+
InChIKey FSANQMZDAVGYSB-JXMROGBWSA-N
Mol Weight 324.33 g/mol
Molecular Formula C12H11F3O3S2
Exact Mass 324.010171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WmB53Zp6mj
Name (E)-ethyl 2-methyl-4-oxo-4-(thiophen-2-yl)-3-(trifluoromethylthio)but-2-enoate
Appearance Yellow oil
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Formula C12H11F3O3S2
InChI InChI=1S/C12H11F3O3S2/c1-3-18-11(17)7(2)10(20-12(13,14)15)9(16)8-5-4-6-19-8/h4-6H,3H2,1-2H3/b10-7+
InChIKey FSANQMZDAVGYSB-JXMROGBWSA-N
Instrument Name IonSpec FT-ICR
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000304
Molecular Weight 324.332 g/mol
Reported Formula C12H11F3O3S2
SMILES C(\C(=C\(C)C(OCC)=O)SC(F)(F)F)(=O)c1cccs1
SPLASH splash10-03di-1910000000-1bfbddd398fddbd0ab68
Source of Spectrum ASC-362-SM8-2k
Wiley ID 1839326