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1-(3-CHLOROPHENYL)-6,7-METHYLENEDIOXY-3-METHYLISOQUINOLINIUM-N-(TETRAZOLE-5-IDE)

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1-(3-CHLOROPHENYL)-6,7-METHYLENEDIOXY-3-METHYLISOQUINOLINIUM-N-(TETRAZOLE-5-IDE)
SpectraBase Compound ID 8EhLn3Gi9JK
InChI InChI=1S/C18H13ClN5O2.ClH/c1-10-5-12-7-15-16(26-9-25-15)8-14(12)17(11-3-2-4-13(19)6-11)24(10)18-20-22-23-21-18;/h2-8H,9H2,1H3,(H,20,21,22,23);1H/q+1;/p-1
InChIKey LGQJQMAPDDZNIX-UHFFFAOYSA-M
Mol Weight 402.24 g/mol
Molecular Formula C18H13Cl2N5O2
Exact Mass 401.04463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5NXYowvdVaR
Name 1-(3-CHLOROPHENYL)-6,7-METHYLENEDIOXY-3-METHYLISOQUINOLINIUM-N-(TETRAZOLE-5-IDE)
Compound Number 8B/2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13Cl2N5O2
InChI InChI=1S/C18H13ClN5O2.ClH/c1-10-5-12-7-15-16(26-9-25-15)8-14(12)17(11-3-2-4-13(19)6-11)24(10)18-20-22-23-21-18;/h2-8H,9H2,1H3,(H,20,21,22,23);1H/q+1;/p-1
InChIKey LGQJQMAPDDZNIX-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 402.240 g/mol
Solvent CDCl3:CF3CO2H
Source File Reference UWLU20984