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(E)-3-Methylthio-2-phenylthio-2-butenoic acid, methyl ester
SpectraBase Compound ID 7SszLj0Z8YX
InChI InChI=1S/C12H14O2S2/c1-9(15-3)11(12(13)14-2)16-10-7-5-4-6-8-10/h4-8H,1-3H3/b11-9+
InChIKey HYQZFWYXCXTXQE-PKNBQFBNSA-N
Mol Weight 254.36 g/mol
Molecular Formula C12H14O2S2
Exact Mass 254.043522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 19MKJuhuFBK
Name (E)-3-Methylthio-2-phenylthio-2-butenoic acid, methyl ester
CAS Registry Number 96899-40-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14O2S2
InChI InChI=1S/C12H14O2S2/c1-9(15-3)11(12(13)14-2)16-10-7-5-4-6-8-10/h4-8H,1-3H3/b11-9+
InChIKey HYQZFWYXCXTXQE-PKNBQFBNSA-N
Instrument Name Jeol FX-90
Literature Reference R.K. Dieter, L.A. Silks, J.R. Fishpaugh, J. Am. Chem. Soc. 107, 4679 (1985).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3