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2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1-(4-fluorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium
SpectraBase Compound ID 6FGVutQt0Ld
InChI InChI=1S/C20H17FN4O2/c1-12-8-14-9-17(26-2)18(27-3)10-16(14)19(13-4-6-15(21)7-5-13)25(12)20-22-11-23-24-20/h4-11H,1-3H3
InChIKey GHPDQWGQMDGORQ-UHFFFAOYSA-N
Mol Weight 364.38 g/mol
Molecular Formula C20H17FN4O2
Exact Mass 364.133554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID lr4f8byzje
Name 2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1-(4-fluorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium
Compound Number 8/2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17FN4O2
InChI InChI=1S/C20H17FN4O2/c1-12-8-14-9-17(26-2)18(27-3)10-16(14)19(13-4-6-15(21)7-5-13)25(12)20-22-11-23-24-20/h4-11H,1-3H3
InChIKey GHPDQWGQMDGORQ-UHFFFAOYSA-N
Literature Reference Author I.PRAUDA,I.KOEVESDI,P.TRINKA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,38,403(2001)
Literature Reference DOI 10.1002/jhet.5570380215
Molecular Weight 364.379 g/mol
Solvent DMSO-D6
Source File Reference UWLU21138