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2-[(trifluoromethyl)thio]-3-hydroxypropanoic acid ethyl ester
SpectraBase Compound ID 3L8Hk62d1iL
InChI InChI=1S/C6H9F3O3S/c1-2-12-5(11)4(3-10)13-6(7,8)9/h4,10H,2-3H2,1H3
InChIKey FKAFDSDRNSBBIQ-UHFFFAOYSA-N
Mol Weight 218.19 g/mol
Molecular Formula C6H9F3O3S
Exact Mass 218.02245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTY9aCVbACf
Name 2-[(trifluoromethyl)thio]-3-hydroxypropanoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.022449810 u
Formula C6H9F3O3S
InChI InChI=1S/C6H9F3O3S/c1-2-12-5(11)4(3-10)13-6(7,8)9/h4,10H,2-3H2,1H3
InChIKey FKAFDSDRNSBBIQ-UHFFFAOYSA-N
Instrument Name Varian Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602730
Molecular Weight 218.190 g/mol
Quality 210
SMILES OCC(SC(F)(F)F)C(=O)OCC
SPLASH splash10-00dl-9000000000-6f4e723cb3e22b10fc1b
Source of Spectrum QE-22-SM19-2i (DOI: 10.1002/chem.201602730)
Wiley ID 1905004