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6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-(5-ETHYLTHIO-1,2,4-TRIAZOL-3-YL)-ISOQUINOLINIUM-CHLORIDE
SpectraBase Compound ID LGrAm2iRMAm
InChI InChI=1S/C23H25N4O2S.ClH/c1-6-30-23-24-22(25-26-23)27-15(3)11-17-12-19(28-4)20(29-5)13-18(17)21(27)16-9-7-14(2)8-10-16;/h7-13H,6H2,1-5H3,(H,24,25,26);1H/q+1;/p-1
InChIKey PADLDRSHTGNAMN-UHFFFAOYSA-M
Mol Weight 456.99 g/mol
Molecular Formula C23H25ClN4O2S
Exact Mass 456.138675 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1dUriDxeQsR
Name 6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-(5-ETHYLTHIO-1,2,4-TRIAZOL-3-YL)-ISOQUINOLINIUM-CHLORIDE
Compound Number 3A/2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H25ClN4O2S
InChI InChI=1S/C23H25N4O2S.ClH/c1-6-30-23-24-22(25-26-23)27-15(3)11-17-12-19(28-4)20(29-5)13-18(17)21(27)16-9-7-14(2)8-10-16;/h7-13H,6H2,1-5H3,(H,24,25,26);1H/q+1;/p-1
InChIKey PADLDRSHTGNAMN-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 456.990 g/mol
Solvent CDCl3
Source File Reference UWLU22540