For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
METHYL-(2E)-3-[4-(CARBOXYMETHYLTHIO)-PHENYL]-PROP-2-ENOATE
SpectraBase Compound ID FOgA0bTylUY
InChI InChI=1S/C12H12O4S/c1-16-12(15)7-4-9-2-5-10(6-3-9)17-8-11(13)14/h2-7H,8H2,1H3,(H,13,14)/b7-4+
InChIKey CDZHMVQCFNWQHG-QPJJXVBHSA-N
Mol Weight 252.28 g/mol
Molecular Formula C12H12O4S
Exact Mass 252.04563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2I20zFeHl0v
Name METHYL-(2E)-3-[4-(CARBOXYMETHYLTHIO)-PHENYL]-PROP-2-ENOATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O4S
InChI InChI=1S/C12H12O4S/c1-16-12(15)7-4-9-2-5-10(6-3-9)17-8-11(13)14/h2-7H,8H2,1H3,(H,13,14)/b7-4+
InChIKey CDZHMVQCFNWQHG-QPJJXVBHSA-N
Literature Reference Author K.EGGERS,T.M.FYLES,P.J.MONTOYA-PELAEZ
Literature Reference Citation J.ORG.CHEM.,66,2966(2001)
Literature Reference DOI 10.1021/jo0056848
Molecular Weight 252.285 g/mol
Solvent DMSO
Source File Reference UWVN26254