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2-methyl-m-dithiane-2-acetic acid, methyl ester

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

2-methyl-m-dithiane-2-acetic acid, methyl ester
SpectraBase Compound ID DTthnB9Tr3K
InChI InChI=1S/C8H14O2S2/c1-8(6-7(9)10-2)11-4-3-5-12-8/h3-6H2,1-2H3
InChIKey OFERBUQBWCVLQP-UHFFFAOYSA-N
Mol Weight 206.32 g/mol
Molecular Formula C8H14O2S2
Exact Mass 206.043522 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CPhQdvJSVLm
Name 2-METHYL-m-DITHIANE-2-ACETIC ACID, METHYL ESTER
Source of Sample I. Stahl, University of Kassel, Kassel, Germany
Boiling Point 90C/0.01mm
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O2S2
InChI InChI=1S/C8H14O2S2/c1-8(6-7(9)10-2)11-4-3-5-12-8/h3-6H2,1-2H3
InChIKey OFERBUQBWCVLQP-UHFFFAOYSA-N
Melting Point 78C
Molecular Weight 206.33
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms M-DITHIANE-2-ACETIC ACID, 2-METHYL-, METHYL ESTER