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4,5-DIHYDRO-3-METHYL-5-OXO-1-(4-SULFOPHENYL)-1H-PYRAZOLE-SODIUM-SALT;CH-KETO-TAUTOMER;MEPY;3-METHYL-PYRAZOLONE-T
SpectraBase Compound ID 4rBArPgIF5n
InChI InChI=1S/C10H10N2O4S.Na/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16;/h2-5H,6H2,1H3,(H,14,15,16);/q;+1/p-1
InChIKey QQAJQWDRISHRNO-UHFFFAOYSA-M
Mol Weight 276.24 g/mol
Molecular Formula C10H9N2NaO4S
Exact Mass 276.018072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DRkEe9VBZPP
Name 4,5-DIHYDRO-3-METHYL-5-OXO-1-(4-SULFOPHENYL)-1H-PYRAZOLE-SODIUM-SALT;CH-KETO-TAUTOMER;MEPY;3-METHYL-PYRAZOLONE-T
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H9N2NaO4S
InChI InChI=1S/C10H10N2O4S.Na/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16;/h2-5H,6H2,1H3,(H,14,15,16);/q;+1/p-1
InChIKey QQAJQWDRISHRNO-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 276.242 g/mol
Solvent D2O;PH=4.5
Source File Reference UWCS18589