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1-(4-CHLOROPHENYL)-6,7-DIMETHOXY-3-METHYLISOQUINOLINIUM-N-(TETRAZOLE-5-IDE)
SpectraBase Compound ID 6o5DgByzWsY
InChI InChI=1S/C19H17ClN5O2.ClH/c1-11-8-13-9-16(26-2)17(27-3)10-15(13)18(12-4-6-14(20)7-5-12)25(11)19-21-23-24-22-19;/h4-10H,1-3H3,(H,21,22,23,24);1H/q+1;/p-1
InChIKey APOFCCDUDWBECJ-UHFFFAOYSA-M
Mol Weight 418.28 g/mol
Molecular Formula C19H17Cl2N5O2
Exact Mass 417.07593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A13UjBoYffm
Name 1-(4-CHLOROPHENYL)-6,7-DIMETHOXY-3-METHYLISOQUINOLINIUM-N-(TETRAZOLE-5-IDE)
Compound Number 8B/3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H17Cl2N5O2
InChI InChI=1S/C19H17ClN5O2.ClH/c1-11-8-13-9-16(26-2)17(27-3)10-15(13)18(12-4-6-14(20)7-5-12)25(11)19-21-23-24-22-19;/h4-10H,1-3H3,(H,21,22,23,24);1H/q+1;/p-1
InChIKey APOFCCDUDWBECJ-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 418.282 g/mol
Solvent CDCl3:CF3CO2H
Source File Reference UWLU20985