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(E)-3-Methylthio-2-phenylthio-2-heptenoic acid, methyl ester
SpectraBase Compound ID CpfWMakvT6E
InChI InChI=1S/C15H20O2S2/c1-4-5-11-13(18-3)14(15(16)17-2)19-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3/b14-13+
InChIKey VCGKUZPYJJEYOR-BUHFOSPRSA-N
Mol Weight 296.44 g/mol
Molecular Formula C15H20O2S2
Exact Mass 296.090472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35Anb4IzfYI
Name (E)-3-Methylthio-2-phenylthio-2-heptenoic acid, methyl ester
CAS Registry Number 96899-42-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H20O2S2
InChI InChI=1S/C15H20O2S2/c1-4-5-11-13(18-3)14(15(16)17-2)19-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3/b14-13+
InChIKey VCGKUZPYJJEYOR-BUHFOSPRSA-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