For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1P3bx2qsSwC
Name 4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC-ACID-TRISODIUM-SALT;ENOLATE-ANION-TAUTOMER;PYT;PYRAZOLONE-T
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H5N2Na3O6S
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
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
Solvent D2O;PH=12
Source File Reference UWCS18584