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4,5-DIHYDRO-5-OXO-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC-ACID-SODIUM-SALT;NH-KETO-TAUTOMER;UPY
SpectraBase Compound ID JRTJQI2BrfT
InChI InChI=1S/C10H8N2O3.Na/c13-9-6-8(10(14)15)11-12(9)7-4-2-1-3-5-7;/h1-6,11H,(H,14,15);/q;+1/p-1
InChIKey RBCPQKBBQGJGAB-UHFFFAOYSA-M
Mol Weight 226.17 g/mol
Molecular Formula C10H7N2NaO3
Exact Mass 226.035436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DB6SF1hjSv5
Name 4,5-DIHYDRO-5-OXO-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC-ACID-SODIUM-SALT;NH-KETO-TAUTOMER;UPY
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H7N2NaO3
InChI InChI=1S/C10H8N2O3.Na/c13-9-6-8(10(14)15)11-12(9)7-4-2-1-3-5-7;/h1-6,11H,(H,14,15);/q;+1/p-1
InChIKey RBCPQKBBQGJGAB-UHFFFAOYSA-M
Literature Reference Author S.J.BELL,E.P.MAZZOLA,M.J.DINOVI,W.F.REYNOLDS,K.W.NIELSEN
Literature Reference Citation J.HETCYCL.CHEM.,28,641(1991)
Literature Reference DOI 10.1002/jhet.5570280318
Molecular Weight 226.167 g/mol
Solvent D2O;PH=4.4
Source File Reference UWCS18592