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Pyridoxal anion

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Pyridoxal anion
SpectraBase Compound ID CczBuqvESaK
InChI InChI=1S/C8H11NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,8,10-13H,3H2,1H3/p-1
InChIKey GMEPEVOEXLCBRB-UHFFFAOYSA-M
Mol Weight 184.17 g/mol
Molecular Formula C8H10NO4
Exact Mass 184.060983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ziC0hPrON7
Name Pyridoxal anion
Comments PD = 12.9, SHIFT OF 130 PPM REPORTED FOR C7 MUST BE IN ERROR
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Formula C8H10NO4
InChI InChI=1S/C8H11NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,8,10-13H,3H2,1H3/p-1
InChIKey GMEPEVOEXLCBRB-UHFFFAOYSA-M
Instrument Name Bruker WH-90
Literature Reference R. Haran, J.P. Laurent, M. Massol, Org. Magn. Resonance 14, 45 (1980).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O