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3-carboxy-1-methylpyridinium hydroxide, inner salt

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3-carboxy-1-methylpyridinium hydroxide, inner salt
SpectraBase Compound ID JXuDDRkOLCI
InChI InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
InChIKey WWNNZCOKKKDOPX-UHFFFAOYSA-N
Mol Weight 137.14 g/mol
Molecular Formula C7H7NO2
Exact Mass 137.047678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGRmwNBnIAs
Name TRIGONELLINE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H7NO2
InChI InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
InChIKey WWNNZCOKKKDOPX-UHFFFAOYSA-N
Literature Reference Author A.M.MARCHESINI,G.G.PRADO,G.B.MESSIANO,M.B.MACHADO,L.M.X.LOPE S
Literature Reference Citation J.BRAZ.CHEM.SOC.,20,1598(2009)
Literature Reference DOI 10.1590/s0103-50532009000900006
Molecular Weight 137.138 g/mol
Source File Reference UWBT6272