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2,2'-Dithio-bis(4,6-dimethyl-benzoic acid)
SpectraBase Compound ID 7SdsRn9UBPv
InChI InChI=1S/C18H18O4S2/c1-9-5-11(3)15(17(19)20)13(7-9)23-24-14-8-10(2)6-12(4)16(14)18(21)22/h5-8H,1-4H3,(H,19,20)(H,21,22)
InChIKey FHCLOEXCMXHLHW-UHFFFAOYSA-N
Mol Weight 362.46 g/mol
Molecular Formula C18H18O4S2
Exact Mass 362.064651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H2m0zDC6UUi
Name 2,2'-Dithio-bis(4,6-dimethyl-benzoic acid)
CAS Registry Number 117371-40-1
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C18H18O4S2
InChI InChI=1S/C18H18O4S2/c1-9-5-11(3)15(17(19)20)13(7-9)23-24-14-8-10(2)6-12(4)16(14)18(21)22/h5-8H,1-4H3,(H,19,20)(H,21,22)
InChIKey FHCLOEXCMXHLHW-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