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2,2'-Dithio-bis(5-methyl-benzoic acid)
SpectraBase Compound ID DtzvBASxeVB
InChI InChI=1S/C16H14O4S2/c1-9-3-5-13(11(7-9)15(17)18)21-22-14-6-4-10(2)8-12(14)16(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKey VKTJWKGPIVTERS-UHFFFAOYSA-N
Mol Weight 334.4 g/mol
Molecular Formula C16H14O4S2
Exact Mass 334.033351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1x10u7YAbQ
Name 2,2'-Dithio-bis(5-methyl-benzoic acid)
CAS Registry Number 13616-79-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H14O4S2
InChI InChI=1S/C16H14O4S2/c1-9-3-5-13(11(7-9)15(17)18)21-22-14-6-4-10(2)8-12(14)16(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKey VKTJWKGPIVTERS-UHFFFAOYSA-N
Literature Reference K. Smith, C.M. Lindsay, G.J. Pritchard, J. Am. Chem. Soc. 111, 665 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6