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5-(3-chlorophenyl)-7-methyl-6-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

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5-(3-chlorophenyl)-7-methyl-6-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
SpectraBase Compound ID 8PliqtvR0eu
InChI InChI=1S/C20H15ClN4O2S/c1-11-6-13-8-16-17(27-10-26-16)9-15(13)18(12-4-3-5-14(21)7-12)25(11)19-22-20(28-2)24-23-19/h3-9H,10H2,1-2H3
InChIKey KVFVYIOALCBUGI-UHFFFAOYSA-N
Mol Weight 410.88 g/mol
Molecular Formula C20H15ClN4O2S
Exact Mass 410.060425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G2EN9xJ6Nce
Name 5-(3-chlorophenyl)-7-methyl-6-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Compound Number 8/10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15ClN4O2S
InChI InChI=1S/C20H15ClN4O2S/c1-11-6-13-8-16-17(27-10-26-16)9-15(13)18(12-4-3-5-14(21)7-12)25(11)19-22-20(28-2)24-23-19/h3-9H,10H2,1-2H3
InChIKey KVFVYIOALCBUGI-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 410.878 g/mol
Solvent DMSO-D6
Source File Reference UWLU21146