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(E)-4,4-Dimethyl-3-methylthio-2-pentenoic acid, methyl ester
SpectraBase Compound ID 5yVTbi0ZfOZ
InChI InChI=1S/C9H16O2S/c1-9(2,3)7(12-5)6-8(10)11-4/h6H,1-5H3/b7-6+
InChIKey QRCFVJSKVHYJME-VOTSOKGWSA-N
Mol Weight 188.28 g/mol
Molecular Formula C9H16O2S
Exact Mass 188.087101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57TRapstVH5
Name (E)-4,4-Dimethyl-3-methylthio-2-pentenoic acid, methyl ester
CAS Registry Number 96899-38-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H16O2S
InChI InChI=1S/C9H16O2S/c1-9(2,3)7(12-5)6-8(10)11-4/h6H,1-5H3/b7-6+
InChIKey QRCFVJSKVHYJME-VOTSOKGWSA-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