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1,3-dithioisophthalic acid, O,O-diethyl ester

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

1,3-dithioisophthalic acid, O,O-diethyl ester
SpectraBase Compound ID 4QS51nIyILc
InChI InChI=1S/C12H14O2S2/c1-3-13-11(15)9-6-5-7-10(8-9)12(16)14-4-2/h5-8H,3-4H2,1-2H3
InChIKey NEDVASVUOTXDKY-UHFFFAOYSA-N
Mol Weight 254.36 g/mol
Molecular Formula C12H14O2S2
Exact Mass 254.043522 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JCvselmMfoJ
Name 1,3-DITHIOISOPHTHALIC ACID, O,O-DIETHYL ESTER
Source of Sample J. Voss, University of Hamburg, Hamburg, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S2
InChI InChI=1S/C12H14O2S2/c1-3-13-11(15)9-6-5-7-10(8-9)12(16)14-4-2/h5-8H,3-4H2,1-2H3
InChIKey NEDVASVUOTXDKY-UHFFFAOYSA-N
Melting Point 61-62C
Molecular Weight 254.37
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ISOPHTHALIC ACID, 1,3-DITHIO-, O,O-DIETHYL ESTER