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6,7-METHYLENEDIOXY-3-METHYL-1-(4-NITROPHENYL)-2-(TETRAZOL-5-YL)-ISOQUINOLINIUM-SALT
SpectraBase Compound ID DQb4p9Y4ATN
InChI InChI=1S/C18H13N6O4.ClH/c1-10-6-12-7-15-16(28-9-27-15)8-14(12)17(23(10)18-19-21-22-20-18)11-2-4-13(5-3-11)24(25)26;/h2-8H,9H2,1H3,(H,19,20,21,22);1H/q+1;/p-1
InChIKey WYJGCAZUAAUAKM-UHFFFAOYSA-M
Mol Weight 412.79 g/mol
Molecular Formula C18H13ClN6O4
Exact Mass 412.068681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4gzlihQgWZ
Name 6,7-METHYLENEDIOXY-3-METHYL-1-(4-NITROPHENYL)-2-(TETRAZOL-5-YL)-ISOQUINOLINIUM-SALT
Compound Number 8B/7
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13ClN6O4
InChI InChI=1S/C18H13N6O4.ClH/c1-10-6-12-7-15-16(28-9-27-15)8-14(12)17(23(10)18-19-21-22-20-18)11-2-4-13(5-3-11)24(25)26;/h2-8H,9H2,1H3,(H,19,20,21,22);1H/q+1;/p-1
InChIKey WYJGCAZUAAUAKM-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 412.792 g/mol
Solvent CDCl3:CF3CO2H
Source File Reference UWLU20989