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6,7-dimethoxy-1,3-dimethyl-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
SpectraBase Compound ID L1VpVvyHjBM
InChI InChI=1S/C16H18N4O2S/c1-9-6-11-7-13(21-3)14(22-4)8-12(11)10(2)20(9)15-17-16(23-5)19-18-15/h6-8H,1-5H3
InChIKey CSXCEAQUJUCDCR-UHFFFAOYSA-N
Mol Weight 330.41 g/mol
Molecular Formula C16H18N4O2S
Exact Mass 330.115047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7xutsski3a
Name 6,7-dimethoxy-1,3-dimethyl-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
Compound Number 8/5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18N4O2S
InChI InChI=1S/C16H18N4O2S/c1-9-6-11-7-13(21-3)14(22-4)8-12(11)10(2)20(9)15-17-16(23-5)19-18-15/h6-8H,1-5H3
InChIKey CSXCEAQUJUCDCR-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 330.405 g/mol
Solvent DMSO-D6
Source File Reference UWLU21141