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RUBRIFACINE-SODIUM-SALT;3-(3-CARBOXYMETHYL)-4,5-DIHYDRO-4,5-DIOXO-2-PYRROLYL)-4,5,6-TRIHYDROXYPYRIDINE-2-ACETIC-ACID-SODIUM-SALT

View entire compound with spectra: 1 NMR

RUBRIFACINE-SODIUM-SALT;3-(3-CARBOXYMETHYL)-4,5-DIHYDRO-4,5-DIOXO-2-PYRROLYL)-4,5,6-TRIHYDROXYPYRIDINE-2-ACETIC-ACID-SODIUM-SALT
SpectraBase Compound ID 6No1rXopR3g
InChI InChI=1S/C13H10N2O9.4Na/c16-5(17)1-3-8(15-12(23)9(3)20)7-4(2-6(18)19)14-13(24)11(22)10(7)21;;;;/h22H,1-2H2,(H,16,17)(H,18,19)(H2,14,21,24)(H,15,20,23);;;;/q;4*+1/p-4
InChIKey DUHYJSJTZYMXBB-UHFFFAOYSA-J
Mol Weight 426.15507713 g/mol
Molecular Formula C13H6N2Na4O9
Exact Mass 425.966407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Oa6vZI3OpG
Name RUBRIFACINE-SODIUM-SALT;3-(3-CARBOXYMETHYL)-4,5-DIHYDRO-4,5-DIOXO-2-PYRROLYL)-4,5,6-TRIHYDROXYPYRIDINE-2-ACETIC-ACID-SODIUM-SALT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H6N2Na4O9
InChI InChI=1S/C13H10N2O9.4Na/c16-5(17)1-3-8(15-12(23)9(3)20)7-4(2-6(18)19)14-13(24)11(22)10(7)21;;;;/h22H,1-2H2,(H,16,17)(H,18,19)(H2,14,21,24)(H,15,20,23);;;;/q;4*+1/p-4
InChIKey DUHYJSJTZYMXBB-UHFFFAOYSA-J
Literature Reference Author G.FEISTNER,H.BUDZIKIEWICZ
Literature Reference Citation CAN.J.CHEM.,63,495(1985)
Literature Reference DOI 10.1139/v85-080
Molecular Weight 426.158 g/mol
Solvent H2O
Source File Reference UWCS8923