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

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diallyl-[5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]amine
SpectraBase Compound ID GMZxq0jSxw4
InChI InChI=1S/C26H26ClN5O2/c1-6-12-31(13-7-2)25-28-26(30-29-25)32-17(3)14-18-15-22(33-4)23(34-5)16-20(18)24(32)19-10-8-9-11-21(19)27/h6-11,14-16H,1-2,12-13H2,3-5H3
InChIKey MLLXALSBJAHOEP-UHFFFAOYSA-N
Mol Weight 475.98 g/mol
Molecular Formula C26H26ClN5O2
Exact Mass 475.177503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64PtbWTglXU
Name diallyl-[5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]amine
Compound Number 8/29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H26ClN5O2
InChI InChI=1S/C26H26ClN5O2/c1-6-12-31(13-7-2)25-28-26(30-29-25)32-17(3)14-18-15-22(33-4)23(34-5)16-20(18)24(32)19-10-8-9-11-21(19)27/h6-11,14-16H,1-2,12-13H2,3-5H3
InChIKey MLLXALSBJAHOEP-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 475.978 g/mol
Solvent DMSO-D6
Source File Reference UWLU21167