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(2E)-3-[4-(CARBOXYMETHYLTHIO)-PHENYL]-PROP-2-ENOIC-ACID
SpectraBase Compound ID 8IY0YOWMf1T
InChI InChI=1S/C11H10O4S/c12-10(13)6-3-8-1-4-9(5-2-8)16-7-11(14)15/h1-6H,7H2,(H,12,13)(H,14,15)/b6-3+
InChIKey XYIYARYCXQTQJB-ZZXKWVIFSA-N
Mol Weight 238.26 g/mol
Molecular Formula C11H10O4S
Exact Mass 238.02998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2KgWTZicf9B
Name (2E)-3-[4-(CARBOXYMETHYLTHIO)-PHENYL]-PROP-2-ENOIC-ACID
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10O4S
InChI InChI=1S/C11H10O4S/c12-10(13)6-3-8-1-4-9(5-2-8)16-7-11(14)15/h1-6H,7H2,(H,12,13)(H,14,15)/b6-3+
InChIKey XYIYARYCXQTQJB-ZZXKWVIFSA-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 238.258 g/mol
Solvent DMSO
Source File Reference UWVN26253