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(2R)-2-(acetylthio)-4,4,4-trifluoro-butyric acid methyl ester
SpectraBase Compound ID 3AK5oebjcUh
InChI InChI=1S/C7H9F3O3S/c1-4(11)14-5(6(12)13-2)3-7(8,9)10/h5H,3H2,1-2H3/t5-/m1/s1
InChIKey QRICUCSHJDXJPV-RXMQYKEDSA-N
Mol Weight 230.2 g/mol
Molecular Formula C7H9F3O3S
Exact Mass 230.02245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ARzSVJ6RsDC
Name (2R)-2-(acetylthio)-4,4,4-trifluoro-butyric acid methyl ester
Alternate Name(s) (2R)-2-(acetylthio)-4,4,4-trifluorobutanoic acid methyl ester Methyl (2R)-2-ethanoylsulfanyl-4,4,4-tris(fluoranyl)butanoate Methyl (2R)-2-acetylsulfanyl-4,4,4-trifluorobutanoate
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Formula C7H9F3O3S
InChI InChI=1S/C7H9F3O3S/c1-4(11)14-5(6(12)13-2)3-7(8,9)10/h5H,3H2,1-2H3/t5-/m1/s1
InChIKey QRICUCSHJDXJPV-RXMQYKEDSA-N
Molecular Weight 230.201 g/mol
SMILES C(C[C@](C(=O)OC)(SC(=O)C)[H])(F)(F)F
SPLASH splash10-0006-9120000000-be6b6544d4a66a102f1e
Source of Spectrum QC-11-2129-4
Wiley ID 859913