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3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine-p,p'-disulfonic acid monosodium salt hydrate

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

3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine-p,p'-disulfonic acid monosodium salt hydrate
SpectraBase Compound ID CX9MmZHduaJ
InChI InChI=1S/C20H14N4O6S2.Na.O/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;;/h1-12H,(H,25,26,27)(H,28,29,30);;/q;+1;/p-1
InChIKey KTIJNMLHOMLKRG-UHFFFAOYSA-M
Mol Weight 508.45476928 g/mol
Molecular Formula C20H13N4NaO7S2
Exact Mass 508.012335 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J22Qc8Zvij7
Name 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine-p,p'-disulfonic acid monosodium salt hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 160601
CAS Registry Number 63451-29-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13N4NaO7S2
InChI InChI=1S/C20H14N4O6S2.Na.O/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;;/h1-12H,(H,25,26,27)(H,28,29,30);;/q;+1;/p-1
InChIKey KTIJNMLHOMLKRG-UHFFFAOYSA-M
Observed nucleus 13C
Purity 97%
Solvent D2O & NaOD
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms FerroZine(TM) Iron Reagent PDT disulfonate monosodium salt hydrate
Wiley ID SIAL_13CNMR_001869