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(E)-7-Hydroxy-4,4-(trimethylene-dithio)-2-octenoic acid, ethyl ester

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(E)-7-Hydroxy-4,4-(trimethylene-dithio)-2-octenoic acid, ethyl ester
SpectraBase Compound ID 6H9xzwyOuXO
InChI InChI=1S/C13H22O3S2/c1-3-16-12(15)6-8-13(7-5-11(2)14)17-9-4-10-18-13/h6,8,11,14H,3-5,7,9-10H2,1-2H3/b8-6+
InChIKey ILZMXAFHDFEALY-SOFGYWHQSA-N
Mol Weight 290.44 g/mol
Molecular Formula C13H22O3S2
Exact Mass 290.101037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GrHIP8dLYIl
Name (E)-7-Hydroxy-4,4-(trimethylene-dithio)-2-octenoic acid, ethyl ester
CAS Registry Number 69604-36-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H22O3S2
InChI InChI=1S/C13H22O3S2/c1-3-16-12(15)6-8-13(7-5-11(2)14)17-9-4-10-18-13/h6,8,11,14H,3-5,7,9-10H2,1-2H3/b8-6+
InChIKey ILZMXAFHDFEALY-SOFGYWHQSA-N
Literature Reference B. Seuring, D. Seebach, Liebigs Ann. Chem. 2044 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3