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TRISODIUM-SALT-OF-4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-4-(4-SULFOPHENYL)-AZO-1H-PYRAZOLE-3-CARBOXYLIC-ACID
SpectraBase Compound ID F0cwrBDno0E
InChI InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,17H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b18-13-;;;
InChIKey SFCLQNOEQQAOAZ-MLUUKTGYSA-K
Mol Weight 534.35630785 g/mol
Molecular Formula C16H9N4Na3O9S2
Exact Mass 533.950403 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aye4UeKutms
Name TRISODIUM-SALT-OF-4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-4-(4-SULFOPHENYL)-AZO-1H-PYRAZOLE-3-CARBOXYLIC-ACID
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H9N4Na3O9S2
InChI InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,17H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b18-13-;;;
InChIKey SFCLQNOEQQAOAZ-MLUUKTGYSA-K
Literature Reference Author E.R.MAZZOLA,S.J.BELL,S.A.TURUJMAN,J.N.BARROWS,J.E.BAILEY,J.B .MCMAHON,T.K.GERMANN
Literature Reference Citation CAN.J.CHEM.,77,1941(1999)
Literature Reference DOI 10.1139/cjc-77-11-1941
Solvent D2O;PH=7
Source File Reference UWSI526