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3-CARBAMOYL-1-[3-(1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOLINE-2-YL)-2,6-DIOXO-PIPERIDINE-1-YL-METHYL]-PYRIDINIUM-CHLORIDE
SpectraBase Compound ID G3uBlJg1Puv
InChI InChI=1S/C20H16N4O5.ClH/c21-17(26)12-4-3-9-22(10-12)11-23-16(25)8-7-15(20(23)29)24-18(27)13-5-1-2-6-14(13)19(24)28;/h1-6,9-10,15H,7-8,11H2,(H-,21,26);1H
InChIKey MVYSOGPQFBAQJS-UHFFFAOYSA-N
Mol Weight 428.83 g/mol
Molecular Formula C20H17ClN4O5
Exact Mass 428.088747 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zOdfpY1tQw
Name 3-CARBAMOYL-1-[3-(1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOLINE-2-YL)-2,6-DIOXO-PIPERIDINE-1-YL-METHYL]-PYRIDINIUM-CHLORIDE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17ClN4O5
InChI InChI=1S/C20H16N4O5.ClH/c21-17(26)12-4-3-9-22(10-12)11-23-16(25)8-7-15(20(23)29)24-18(27)13-5-1-2-6-14(13)19(24)28;/h1-6,9-10,15H,7-8,11H2,(H-,21,26);1H
InChIKey MVYSOGPQFBAQJS-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 428.832 g/mol
Solvent D2O
Source File Reference UWMS21914