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trans-2-[3(S)-hydroxybutyl]-m-dithiane-2-acrylic acid, methyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

trans-2-[3(S)-hydroxybutyl]-m-dithiane-2-acrylic acid, methyl ester
SpectraBase Compound ID 2zu7C3bRSH6
InChI InChI=1S/C12H20O3S2/c1-10(13)4-6-12(7-5-11(14)15-2)16-8-3-9-17-12/h5,7,10,13H,3-4,6,8-9H2,1-2H3/b7-5+
InChIKey CFRURUUJTSAKLX-FNORWQNLSA-N
Mol Weight 276.41 g/mol
Molecular Formula C12H20O3S2
Exact Mass 276.085387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6SrUfdgZ4RD
Name (E)-7-Hydroxy-4,4-(trimethylene-dithio)-2-octenoic acid, methyl ester
CAS Registry Number 69604-32-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H20O3S2
InChI InChI=1S/C12H20O3S2/c1-10(13)4-6-12(7-5-11(14)15-2)16-8-3-9-17-12/h5,7,10,13H,3-4,6,8-9H2,1-2H3/b7-5+
InChIKey CFRURUUJTSAKLX-FNORWQNLSA-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