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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HJZg1jRbAP
Name Thioacetate
Source of Sample SAFC Cat.no. W328200
CAS Registry Number 59094-77-8
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 104.029586051 u
Formula C4H8OS
InChI InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3
InChIKey APTGPWJUOYMUCE-UHFFFAOYSA-N
Molecular Weight 104.167 g/mol
Number of Peaks 46
RI1 771
RI2 435
RI3 468
RI4 430
RI5 749
SMILES C(C)(=O)SCC
SPLASH splash10-0006-9200000000-616260fc3b5f7a4da4e9
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Ethanethioic acid, ethyl ester
Wiley ID LM_FFNSC3_85