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S-Methyl 4,4,4-trifluoro-1-thioacetoacetate

View entire compound with spectra: 2 NMR, and 1 FTIR

S-Methyl 4,4,4-trifluoro-1-thioacetoacetate
SpectraBase Compound ID GwgZyOwCWYy
InChI InChI=1S/C5H5F3O2S/c1-11-4(10)2-3(9)5(6,7)8/h2H2,1H3
InChIKey KAIWRFAUEDCFSZ-UHFFFAOYSA-N
Mol Weight 186.15 g/mol
Molecular Formula C5H5F3O2S
Exact Mass 185.996235 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID IOs8aDV6a6U
Name S-Methyl 4,4,4-trifluoro-1-thioacetoacetate
Source of Sample Aldrich
Catalog Number 384240
CAS Registry Number 118528-85-1
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5F3O2S
InChI InChI=1S/C5H5F3O2S/c1-11-4(10)2-3(9)5(6,7)8/h2H2,1H3
InChIKey KAIWRFAUEDCFSZ-UHFFFAOYSA-N
Purity 98%
Synonyms S-Methyl 3-oxo-4,4,4-trifluorothiobutyrate, S-Methyl 4,4,4-trifluoroacetoacetthioate
Wiley ID SIAL_ATR-IR_017961