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4-Methyl-2-(phenylthio)-4-pentenoic acid ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Methyl-2-(phenylthio)-4-pentenoic acid ethyl ester
SpectraBase Compound ID BDEQ2pAV4LM
InChI InChI=1S/C14H18O2S/c1-4-16-14(15)13(10-11(2)3)17-12-8-6-5-7-9-12/h5-9,13H,2,4,10H2,1,3H3
InChIKey ITVPKKUGQBBQFW-UHFFFAOYSA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYSStvQYVcW
Name 4-Methyl-2-(phenylthio)-4-pentenoic acid ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-4-16-14(15)13(10-11(2)3)17-12-8-6-5-7-9-12/h5-9,13H,2,4,10H2,1,3H3
InChIKey ITVPKKUGQBBQFW-UHFFFAOYSA-N
Molecular Weight 250.356 g/mol
SMILES C(C(=O)OCC)(Sc1ccccc1)CC(=C)C
SPLASH splash10-006t-0910000000-8d0cd892737f61adcbcf
Source of Spectrum KC-0-511-19
Synonyms 4-Methyl-2-(phenylthio)pent-4-enoic acid ethyl ester Ethyl 4-methyl-2-phenylsulfanyl-pent-4-enoate
Wiley ID 780742