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5-(PARA-SULFONIC-ACID-PHENYL-SODIUM-SALT)-AZO-PYRIMIDINE-(1H,3H,5H)-2,4,6-TRIONE;LACTAM-ENOL-AZO
SpectraBase Compound ID GAtiEWPmPLf
InChI InChI=1S/C10H8N4O6S.Na/c15-8-7(9(16)12-10(17)11-8)14-13-5-1-3-6(4-2-5)21(18,19)20;/h1-4H,(H,18,19,20)(H3,11,12,15,16,17);/q;+1/p-1/b14-13+;
InChIKey OCHPUQWMEAMGBD-IERUDJENSA-M
Mol Weight 334.24 g/mol
Molecular Formula C10H7N4NaO6S
Exact Mass 333.998399 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IBauhUs3wy7
Name 5-(PARA-SULFONIC-ACID-PHENYL-SODIUM-SALT)-AZO-PYRIMIDINE-(1H,3H,5H)-2,4,6-TRIONE;LACTAM-ENOL-AZO
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H7N4NaO6S
InChI InChI=1S/C10H8N4O6S.Na/c15-8-7(9(16)12-10(17)11-8)14-13-5-1-3-6(4-2-5)21(18,19)20;/h1-4H,(H,18,19,20)(H3,11,12,15,16,17);/q;+1/p-1/b14-13+;
InChIKey OCHPUQWMEAMGBD-IERUDJENSA-M
Literature Reference Author N.N.PESYAN
Literature Reference Citation MAGN.RES.CHEM.,47,953(2009)
Literature Reference DOI 10.1002/mrc.2498
Molecular Weight 334.239 g/mol
Solvent DMSO-D6
Source File Reference UWLU80168