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6,7-DIMETHOXY-3-METHYL-1-(4-NITROPHENYL)-2-(TETRAZOL-5-YL)-ISOQUINOLINIUM-SALT
SpectraBase Compound ID IRuQS4ijMYy
InChI InChI=1S/C19H17N6O4.ClH/c1-11-8-13-9-16(28-2)17(29-3)10-15(13)18(24(11)19-20-22-23-21-19)12-4-6-14(7-5-12)25(26)27;/h4-10H,1-3H3,(H,20,21,22,23);1H/q+1;/p-1
InChIKey DVUGCPVQDOQBHS-UHFFFAOYSA-M
Mol Weight 428.84 g/mol
Molecular Formula C19H17ClN6O4
Exact Mass 428.099981 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AI0j8D51Egc
Name 6,7-DIMETHOXY-3-METHYL-1-(4-NITROPHENYL)-2-(TETRAZOL-5-YL)-ISOQUINOLINIUM-SALT
Compound Number 8B/6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H17ClN6O4
InChI InChI=1S/C19H17N6O4.ClH/c1-11-8-13-9-16(28-2)17(29-3)10-15(13)18(24(11)19-20-22-23-21-19)12-4-6-14(7-5-12)25(26)27;/h4-10H,1-3H3,(H,20,21,22,23);1H/q+1;/p-1
InChIKey DVUGCPVQDOQBHS-UHFFFAOYSA-M
Literature Reference Author I.PRAUDA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,38,199(2001)
Literature Reference DOI 10.1002/jhet.5570380130
Molecular Weight 428.835 g/mol
Solvent CDCl3:CF3CO2H
Source File Reference UWLU20988