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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 eLSvoEKdXX
Name TRIGONELLINE
Compound Number 3
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 S.SCIUTO,R.CHILLEMI,M.PIATTELLI
Literature Reference Citation J.NAT.PROD.,51,322(1988)
Literature Reference DOI 10.1021/np50056a023
Molecular Weight 137.138 g/mol
Solvent D2O
Source File Reference UWED17310