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6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-(1,2,4-TRIAZOL-3-YL)-ISOQUINOLINIUM-CHLORIDE
SpectraBase Compound ID 7JXB2OoycSV
InChI InChI=1S/C21H21N4O2.ClH/c1-13-5-7-15(8-6-13)20-17-11-19(27-4)18(26-3)10-16(17)9-14(2)25(20)21-22-12-23-24-21;/h5-12H,1-4H3,(H,22,23,24);1H/q+1;/p-1
InChIKey YLHXMZZHIGPGGE-UHFFFAOYSA-M
Mol Weight 396.88 g/mol
Molecular Formula C21H21ClN4O2
Exact Mass 396.135304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5zMy3zYuAni
Name 6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-(1,2,4-TRIAZOL-3-YL)-ISOQUINOLINIUM-CHLORIDE
Compound Number 3A/1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21ClN4O2
InChI InChI=1S/C21H21N4O2.ClH/c1-13-5-7-15(8-6-13)20-17-11-19(27-4)18(26-3)10-16(17)9-14(2)25(20)21-22-12-23-24-21;/h5-12H,1-4H3,(H,22,23,24);1H/q+1;/p-1
InChIKey YLHXMZZHIGPGGE-UHFFFAOYSA-M
Literature Reference Author I.PRAUDA,M.T.LAURITZ,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,41,915(2004)
Literature Reference DOI 10.1002/jhet.5570410611
Molecular Weight 396.876 g/mol
Solvent DMSO-D6
Source File Reference UWLU22539