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thiotrifluoroacetic acid, S-ethyl ester

View entire compound with spectra: 5 NMR, 5 FTIR, 1 Raman, 2 MS (GC), and 2 Near IR

thiotrifluoroacetic acid, S-ethyl ester
SpectraBase Compound ID 48ugAwbomKI
InChI InChI=1S/C4H5F3OS/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey VGGUKFAVHPGNBF-UHFFFAOYSA-N
Mol Weight 158.14 g/mol
Molecular Formula C4H5F3OS
Exact Mass 158.00132 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LnIoY8kppzS
Name S-Ethyl trifluorothioacetate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 177474
CAS Registry Number 383-64-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5F3OS
InChI InChI=1S/C4H5F3OS/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey VGGUKFAVHPGNBF-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_002174