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2-(Tridifluoromethylthio)acetic acid ethyl ester
SpectraBase Compound ID FgmSAx4vuEu
InChI InChI=1S/C7H9F3O3S/c1-3-13-6(12)5(4(2)11)14-7(8,9)10/h5H,3H2,1-2H3
InChIKey QZOUVWZPWRWSPI-UHFFFAOYSA-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 IZDnjsmLeDE
Name 2-(Tridifluoromethylthio)acetic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9F3O3S
InChI InChI=1S/C7H9F3O3S/c1-3-13-6(12)5(4(2)11)14-7(8,9)10/h5H,3H2,1-2H3
InChIKey QZOUVWZPWRWSPI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19731060507
Molecular Weight 230.201 g/mol
SMILES C(OCC)(=O)C(C(C)=O)SC(F)(F)F
SPLASH splash10-001u-9630000000-b762a6f0d29dd93fbaca
Source of Spectrum K-106-1421-4c
Synonyms Ethyl 3-oxo-2-((trifluoromethyl)thio)butanoate
Wiley ID 1793532