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3-CARBOXY-1-[3-(1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOLINE-2-YL)-2,6-DIOXO-PIPERIDINE-1-YL-METHYL]-PYRIDINIUM-IODIDE
SpectraBase Compound ID Fv37xUqqT0b
InChI InChI=1S/C20H15N3O6.HI/c24-16-8-7-15(23-17(25)13-5-1-2-6-14(13)18(23)26)19(27)22(16)11-21-9-3-4-12(10-21)20(28)29;/h1-6,9-10,15H,7-8,11H2;1H
InChIKey CHBCUJVAVXHJND-UHFFFAOYSA-N
Mol Weight 521.27 g/mol
Molecular Formula C20H16IN3O6
Exact Mass 521.00838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bMCE5MWRjk
Name 3-CARBOXY-1-[3-(1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOLINE-2-YL)-2,6-DIOXO-PIPERIDINE-1-YL-METHYL]-PYRIDINIUM-IODIDE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16IN3O6
InChI InChI=1S/C20H15N3O6.HI/c24-16-8-7-15(23-17(25)13-5-1-2-6-14(13)18(23)26)19(27)22(16)11-21-9-3-4-12(10-21)20(28)29;/h1-6,9-10,15H,7-8,11H2;1H
InChIKey CHBCUJVAVXHJND-UHFFFAOYSA-N
Literature Reference Author S.HESS,M.A.AKERMANN,S.WNENDT,K.ZWINGENBERGER,K.EGER
Literature Reference Citation BIOORG.MED.CHEM.,9,1279(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00342-4
Molecular Weight 521.268 g/mol
Solvent DMSO-D6
Source File Reference UWMS21915