For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium

View entire compound with spectra: 1 NMR

1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
SpectraBase Compound ID CNdtZDoZyl
InChI InChI=1S/C21H19FN4O2S/c1-12-9-14-10-17(27-2)18(28-3)11-16(14)19(13-5-7-15(22)8-6-13)26(12)20-23-21(29-4)25-24-20/h5-11H,1-4H3
InChIKey PRQXGZQMTQXHNA-UHFFFAOYSA-N
Mol Weight 410.47 g/mol
Molecular Formula C21H19FN4O2S
Exact Mass 410.121275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3KEHSLHtyUL
Name 1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
Compound Number 8/7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19FN4O2S
InChI InChI=1S/C21H19FN4O2S/c1-12-9-14-10-17(27-2)18(28-3)11-16(14)19(13-5-7-15(22)8-6-13)26(12)20-23-21(29-4)25-24-20/h5-11H,1-4H3
InChIKey PRQXGZQMTQXHNA-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 410.466 g/mol
Solvent DMSO-D6
Source File Reference UWLU21143