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3,3-Difluoro-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-ylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester
SpectraBase Compound ID LbdMkziI3Ce
InChI InChI=1S/C11H9F5O5S/c1-4-3-5(17)6(8(18)21-4)22-11(15,16)7(9(19)20-2)10(12,13)14/h3,7,17H,1-2H3
InChIKey BIEJSUXKRKPABM-UHFFFAOYSA-N
Mol Weight 348.24 g/mol
Molecular Formula C11H9F5O5S
Exact Mass 348.009085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cquk9Z4eV9G
Name 3,3-Difluoro-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-ylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester
Alternate Name(s) Methyl 2-(difluoro[(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)sulfanyl]methyl)-3,3,3-trifluoropropanoate 2-[difluoro-[(4-hydroxy-6-methyl-2-oxo-3-pyranyl)thio]methyl]-3,3,3-trifluoropropanoic acid methyl ester Methyl 2-[difluoro-(4-hydroxy-6-methyl-2-oxopyran-3-yl)sulfanylmethyl]-3,3,3-trifluoropropanoate Methyl 2-[difluoro-(4-hydroxy-6-methyl-2-oxo-pyran-3-yl)sulfanyl-methyl]-3,3,3-trifluoro-propanoate Methyl 2-[bis(fluoranyl)-(6-methyl-4-oxidanyl-2-oxidanylidene-pyran-3-yl)sulfanyl-methyl]-3,3,3-tris(fluoranyl)propanoate
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Formula C11H9F5O5S
InChI InChI=1S/C11H9F5O5S/c1-4-3-5(17)6(8(18)21-4)22-11(15,16)7(9(19)20-2)10(12,13)14/h3,7,17H,1-2H3
InChIKey BIEJSUXKRKPABM-UHFFFAOYSA-N
Molecular Weight 348.240 g/mol
SMILES OC1=C(SC(C(C(F)(F)F)C(=O)OC)(F)F)C(OC(=C1)C)=O
SPLASH splash10-0a4i-8922000000-d401a2c213efc4f49db1
Wiley ID 1464568