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alpha,beta-bis(Ethylthio)hydrocinnamic acid, ethyl ester

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

alpha,beta-bis(Ethylthio)hydrocinnamic acid, ethyl ester
SpectraBase Compound ID 2BQ6Ch0fWF7
InChI InChI=1S/C15H22O2S2/c1-4-17-15(16)14(19-6-3)13(18-5-2)12-10-8-7-9-11-12/h7-11,13-14H,4-6H2,1-3H3
InChIKey QBOKXCMTDCSIGA-UHFFFAOYSA-N
Mol Weight 298.46 g/mol
Molecular Formula C15H22O2S2
Exact Mass 298.106122 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID i1pI4LCZan
Name alpha,beta-bis(Ethylthio)hydrocinnamic acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.106122294 u
Formula C15H22O2S2
InChI InChI=1S/C15H22O2S2/c1-4-17-15(16)14(19-6-3)13(18-5-2)12-10-8-7-9-11-12/h7-11,13-14H,4-6H2,1-3H3
InChIKey QBOKXCMTDCSIGA-UHFFFAOYSA-N
SMILES C=1C(=CC=CC1)C(C(C(OCC)=O)SCC)SCC
Spectrum/Structure Validation Score (Raman) 0.979653