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thioacetic acid, S-ethyl ester

View entire compound with spectra: 17 NMR, 5 FTIR, 1 Raman, and 7 MS (GC)

thioacetic acid, S-ethyl ester
SpectraBase Compound ID CfCwG5amyjl
InChI InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3
InChIKey APTGPWJUOYMUCE-UHFFFAOYSA-N
Mol Weight 104.17 g/mol
Molecular Formula C4H8OS
Exact Mass 104.029586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9YFRg91IFAZ
Name APTGPWJUOYMUCE-UHFFFAOYSA-N
Compound Number 15
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H8OS
InChI InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3
InChIKey APTGPWJUOYMUCE-UHFFFAOYSA-N
Literature Reference Author P.R.OLIVATO,R.R.FILHO,J.ZUKERMAN-SCHPECTOR,M.D.COLLE,G.DISTE FANO
Literature Reference Citation J.CHEM.SOC.PERKIN-2,97(2001)
Literature Reference DOI 10.1039/b005501h
Molecular Weight 104.167 g/mol
Solvent CDCl3
Source File Reference UWMZ22331