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1-(3,4-DICHLOROPHENYL)-6,7-DIMETHOXY-3-METHYLISOQUINOLINIUM-N-(TETRAZOLE-5-IDE)
SpectraBase Compound ID 3zS8Bl3oEvD
InChI InChI=1S/C19H16Cl2N5O2.ClH/c1-10-6-12-8-16(27-2)17(28-3)9-13(12)18(26(10)19-22-24-25-23-19)11-4-5-14(20)15(21)7-11;/h4-9H,1-3H3,(H,22,23,24,25);1H/q+1;/p-1
InChIKey UKMFYGFQSNIWAN-UHFFFAOYSA-M
Mol Weight 452.73 g/mol
Molecular Formula C19H16Cl3N5O2
Exact Mass 451.036958 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7NBMMJAmmo
Name 1-(3,4-DICHLOROPHENYL)-6,7-DIMETHOXY-3-METHYLISOQUINOLINIUM-N-(TETRAZOLE-5-IDE)
Compound Number 8B/4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H16Cl3N5O2
InChI InChI=1S/C19H16Cl2N5O2.ClH/c1-10-6-12-8-16(27-2)17(28-3)9-13(12)18(26(10)19-22-24-25-23-19)11-4-5-14(20)15(21)7-11;/h4-9H,1-3H3,(H,22,23,24,25);1H/q+1;/p-1
InChIKey UKMFYGFQSNIWAN-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 452.727 g/mol
Solvent CDCl3:CF3CO2H
Source File Reference UWLU20986