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Butanoic acid, 3-(ethylthio)-, ethyl ester; butyric acid, 3-(ethylthio)-, ethyl ester

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

Butanoic acid, 3-(ethylthio)-, ethyl ester; butyric acid, 3-(ethylthio)-, ethyl ester
SpectraBase Compound ID LHnFZfiOsw4
InChI InChI=1S/C8H16O2S/c1-4-10-8(9)6-7(3)11-5-2/h7H,4-6H2,1-3H3
InChIKey JMXMTQDOJYBDSL-UHFFFAOYSA-N
Mol Weight 176.27 g/mol
Molecular Formula C8H16O2S
Exact Mass 176.087101 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID AGF1yeei3b4
Name Butanoic acid, 3-(ethylthio)-, ethyl ester; butyric acid, 3-(ethylthio)-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.087100927 u
Formula C8H16O2S
InChI InChI=1S/C8H16O2S/c1-4-10-8(9)6-7(3)11-5-2/h7H,4-6H2,1-3H3
InChIKey JMXMTQDOJYBDSL-UHFFFAOYSA-N
Molecular Weight 176.274 g/mol
SMILES CC(CC(OCC)=O)SCC
Spectrum/Structure Validation Score (Raman) 0.981983