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5,5'-Dithiobis(2-nitrobenzoic acid)

View entire compound with spectra: 4 NMR, 7 FTIR, 4 Raman, and 2 MS (GC)

5,5'-Dithiobis(2-nitrobenzoic acid)
SpectraBase Compound ID 22k7Zb4e8OF
InChI InChI=1S/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKey KIUMMUBSPKGMOY-UHFFFAOYSA-N
Mol Weight 396.34 g/mol
Molecular Formula C14H8N2O8S2
Exact Mass 395.972208 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8vjm4ImXzVy
Name 5,5'-Dithiobis(2-nitrobenzoic acid)
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number D218200
CAS Registry Number 69-78-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8N2O8S2
InChI InChI=1S/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKey KIUMMUBSPKGMOY-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-Carboxy-4-nitrophenyl disulfide; 6,6'-Dinitro-3,3'-dithiodibenzoic acid; Bis(3-carboxy-4-nitrophenyl) disulfide; DTNB; Ellman's Reagent
Wiley ID SIAL_13CNMR_011552