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4,5-DIHYDRO-3-METHYL-5-OXO-1-(4-SULFOPHENYL)-1H-PYRAZOLE-DISODIUM-SALT;NH-BASE-KETO-TAUTOMER;MEPY;3-METHYL-PYRAZOLONE-T
SpectraBase Compound ID Jx396NPAAm4
InChI InChI=1S/C10H10N2O4S.2Na/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16;;/h2-6H,1H3,(H2,11,13,14,15,16);;/q;2*+1/p-2
InChIKey GXHYHMVWDYDXBR-UHFFFAOYSA-L
Mol Weight 298.22353856 g/mol
Molecular Formula C10H8N2Na2O4S
Exact Mass 298.000016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHrQdptqaeE
Name 4,5-DIHYDRO-3-METHYL-5-OXO-1-(4-SULFOPHENYL)-1H-PYRAZOLE-DISODIUM-SALT;NH-BASE-KETO-TAUTOMER;MEPY;3-METHYL-PYRAZOLONE-T
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H8N2Na2O4S
InChI InChI=1S/C10H10N2O4S.2Na/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16;;/h2-6H,1H3,(H2,11,13,14,15,16);;/q;2*+1/p-2
InChIKey GXHYHMVWDYDXBR-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 298.224 g/mol
Solvent D2O,PH=12
Source File Reference UWCS18587