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4,5-DIHYDRO-5-OXO-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC-ACID-DISODIUM-SALT;ENOLATE-ANION-TAUTOMER;UPY
SpectraBase Compound ID Lr1KenSOLUx
InChI InChI=1S/C10H8N2O3.2Na/c13-9-6-8(10(14)15)11-12(9)7-4-2-1-3-5-7;;/h1-6,13H,(H,14,15);;/q;2*+1/p-2
InChIKey BGVFTHDWYKRNJV-UHFFFAOYSA-L
Mol Weight 248.14853856 g/mol
Molecular Formula C10H6N2Na2O3
Exact Mass 248.017381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hdxb9s9xN9y
Name 4,5-DIHYDRO-5-OXO-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC-ACID-DISODIUM-SALT;ENOLATE-ANION-TAUTOMER;UPY
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H6N2Na2O3
InChI InChI=1S/C10H8N2O3.2Na/c13-9-6-8(10(14)15)11-12(9)7-4-2-1-3-5-7;;/h1-6,13H,(H,14,15);;/q;2*+1/p-2
InChIKey BGVFTHDWYKRNJV-UHFFFAOYSA-L
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 248.149 g/mol
Solvent D2O,PH=7
Source File Reference UWCS18593