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4,4'[3-(2-PYRIDYL)-as-TRIAZINE-5,6-DIYL]DIBENZENESULFONIC ACID,DISODIUM SALT, TRIHYDRATE
SpectraBase Compound ID 21NndpGWQVy
InChI InChI=1S/C20H14N4O6S2.2Na.3O/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;2*+1;;;/p-2
InChIKey LUACDQILHHNFKB-UHFFFAOYSA-L
Mol Weight 562.435 g/mol
Molecular Formula C20H12N4Na2O9S2
Exact Mass 561.984109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYPg7o9klHU
Name 4,4'[3-(2-PYRIDYL)-as-TRIAZINE-5,6-DIYL]DIBENZENESULFONIC ACID,DISODIUM SALT, TRIHYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12N4Na2O6S2 3H2O
InChI InChI=1S/C20H14N4O6S2.2Na.3O/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;2*+1;;;/p-2
InChIKey LUACDQILHHNFKB-UHFFFAOYSA-L
Melting Point >300C
Molecular Weight 568.50
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms BENZENESULFONIC ACID, 4,4'-/3- /2-PYRIDYL/-as-TRIAZINE-5,6-DIYL/DI-, DISODIUM SALT, TRIHYDRATE as-TRIAZINE, 5,6-BIS/P-SULFOPHENYL/- 3-/2-PYRIDYL/-, DISODIUM SALT, TRI- HYDRATE