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(E)-3-(4-Tolyl-sulfonyl)-crotonic acid, methyl ester
SpectraBase Compound ID 2IAuKpJh6z1
InChI InChI=1S/C12H14O4S/c1-9-4-6-11(7-5-9)17(14,15)10(2)8-12(13)16-3/h4-8H,1-3H3/b10-8+
InChIKey WVCOPWDQUZSRPQ-CSKARUKUSA-N
Mol Weight 254.3 g/mol
Molecular Formula C12H14O4S
Exact Mass 254.06128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1E7NAvU7Jdi
Name (E)-3-(4-Tolyl-sulfonyl)-crotonic acid, methyl ester
CAS Registry Number 117659-26-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14O4S
InChI InChI=1S/C12H14O4S/c1-9-4-6-11(7-5-9)17(14,15)10(2)8-12(13)16-3/h4-8H,1-3H3/b10-8+
InChIKey WVCOPWDQUZSRPQ-CSKARUKUSA-N
Instrument Name Varian FT-80
Literature Reference C. Najera, B. Baldo, M.Yus, J. Chem. Soc. Perkin I 1029 (1988).
NMR Standard CCl4
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4