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4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC-ACID-TRISODIUM-SALT;ENOLATE-ANION-TAUTOMER;PYT;PYRAZOLONE-T
SpectraBase Compound ID 7FM0zI5OrWO
InChI InChI=1S/C10H8N2O6S.3Na/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18;;;/h1-5,13H,(H,14,15)(H,16,17,18);;;/q;3*+1/p-3
InChIKey VLQQULRYFANFQA-UHFFFAOYSA-K
Mol Weight 350.18730785 g/mol
Molecular Formula C10H5N2Na3O6S
Exact Mass 349.95614 g/mol
Parent InChIKey FWCFCFWLTZFWFS-UHFFFAOYSA-K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent D2O;PH=12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent D2O,PH=7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent D2O,PH=12
Title Journal or Book Year
13C NMR investigation of tautomeric and acid‐base equilibria of pyrazolone T and three analogs Journal of Heterocyclic Chemistry 1991

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