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2-[[(E)-3,3,3-trifluoro-2-(4-methoxyphenyl)prop-1-enyl]thio]acetic acid ethyl ester
SpectraBase Compound ID 6viTap8AvgG
InChI InChI=1S/C14H15F3O3S/c1-3-20-13(18)9-21-8-12(14(15,16)17)10-4-6-11(19-2)7-5-10/h4-8H,3,9H2,1-2H3/b12-8+
InChIKey QOWLEJHDGMKDHW-XYOKQWHBSA-N
Mol Weight 320.33 g/mol
Molecular Formula C14H15F3O3S
Exact Mass 320.0694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Bb7TodiaEm
Name 2-[[(E)-3,3,3-trifluoro-2-(4-methoxyphenyl)prop-1-enyl]thio]acetic acid ethyl ester
Alternate Name(s) Ethyl 2-[(E)-3,3,3-trifluoro-2-(4-methoxyphenyl)prop-1-enyl]sulfanylacetate Ethyl 2-[(E)-3,3,3-tris(fluoranyl)-2-(4-methoxyphenyl)prop-1-enyl]sulfanylethanoate
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Formula C14H15F3O3S
InChI InChI=1S/C14H15F3O3S/c1-3-20-13(18)9-21-8-12(14(15,16)17)10-4-6-11(19-2)7-5-10/h4-8H,3,9H2,1-2H3/b12-8+
InChIKey QOWLEJHDGMKDHW-XYOKQWHBSA-N
Molecular Weight 320.326 g/mol
SMILES C(\C(c1ccc(cc1)OC)=C\SCC(=O)OCC)(F)(F)F
SPLASH splash10-00di-0049000000-3cafef86eb5d46c787e1
Source of Spectrum F4-0-2186-6
Wiley ID 1618512