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

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1-(4-chlorophenyl)-2-[5-(isopropylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium
SpectraBase Compound ID FetAVhX5lbf
InChI InChI=1S/C23H23ClN4O2S/c1-13(2)31-23-25-22(26-27-23)28-14(3)10-16-11-19(29-4)20(30-5)12-18(16)21(28)15-6-8-17(24)9-7-15/h6-13H,1-5H3
InChIKey JDEWSCJNPWSHHS-UHFFFAOYSA-N
Mol Weight 454.98 g/mol
Molecular Formula C23H23ClN4O2S
Exact Mass 454.123025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6a28aSby8jY
Name 1-(4-chlorophenyl)-2-[5-(isopropylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium
Compound Number 8/23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H23ClN4O2S
InChI InChI=1S/C23H23ClN4O2S/c1-13(2)31-23-25-22(26-27-23)28-14(3)10-16-11-19(29-4)20(30-5)12-18(16)21(28)15-6-8-17(24)9-7-15/h6-13H,1-5H3
InChIKey JDEWSCJNPWSHHS-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 454.974 g/mol
Solvent DMSO-D6
Source File Reference UWLU21161