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propanoic acid, 3,3,3-trifluoro-2-(5-methyl-1,3-benzoxathiol-2-ylidene)-, methyl ester, (2E)-
SpectraBase Compound ID EAQwt3NzUWU
InChI InChI=1S/C12H9F3O3S/c1-6-3-4-7-8(5-6)19-11(18-7)9(10(16)17-2)12(13,14)15/h3-5H,1-2H3/b11-9+
InChIKey OVTHURJGJPIRKW-PKNBQFBNSA-N
Mol Weight 290.26 g/mol
Molecular Formula C12H9F3O3S
Exact Mass 290.02245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wWn0RTBsAY
Name 3,3,3-Trifluoro-2-(5-methyl-benzo[1,3]oxathiol-2-ylidene)-propionic acid methyl ester
Alternate Name(s) (2E)-3,3,3-trifluoro-2-(5-methyl-1,3-benzoxathiol-2-ylidene)propanoic acid methyl ester (2E)-3,3,3-trifluoro-2-(5-methyl-1,3-benzoxathiol-2-ylidene)propionic acid methyl ester Methyl (2E)-3,3,3-trifluoro-2-(5-methyl-1,3-benzoxathiol-2-ylidene)propanoate Methyl (2E)-3,3,3-tris(fluoranyl)-2-(5-methyl-1,3-benzoxathiol-2-ylidene)propanoate Methyl 3,3,3-trifluoro-2-(5-methyl-1,3-benzoxathiol-2-ylidene)propanoate
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Formula C12H9F3O3S
InChI InChI=1S/C12H9F3O3S/c1-6-3-4-7-8(5-6)19-11(18-7)9(10(16)17-2)12(13,14)15/h3-5H,1-2H3/b11-9+
InChIKey OVTHURJGJPIRKW-PKNBQFBNSA-N
Molecular Weight 290.256 g/mol
SMILES COC(\C(=C/1Sc2c(O1)ccc(c2)C)C(F)(F)F)=O
SPLASH splash10-0536-1390000000-2159a633ea2f5dd513c5
Wiley ID 1463108