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6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-[5-[3-(N,N-DIMETHILAMINO)-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE

View entire compound with spectra: 1 NMR

6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-[5-[3-(N,N-DIMETHILAMINO)-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE
SpectraBase Compound ID E1oZUsv7ZAJ
InChI InChI=1S/C26H32N5O2S.ClH/c1-17-8-10-19(11-9-17)24-21-16-23(33-6)22(32-5)15-20(21)14-18(2)31(24)25-27-26(29-28-25)34-13-7-12-30(3)4;/h8-11,14-16H,7,12-13H2,1-6H3,(H,27,28,29);1H/q+1;/p-1
InChIKey NOROUFABQSKZNE-UHFFFAOYSA-M
Mol Weight 514.1 g/mol
Molecular Formula C26H32ClN5O2S
Exact Mass 513.196524 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FpzrJfJFxy1
Name 6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-[5-[3-(N,N-DIMETHILAMINO)-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE
Compound Number 3A/3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32ClN5O2S
InChI InChI=1S/C26H32N5O2S.ClH/c1-17-8-10-19(11-9-17)24-21-16-23(33-6)22(32-5)15-20(21)14-18(2)31(24)25-27-26(29-28-25)34-13-7-12-30(3)4;/h8-11,14-16H,7,12-13H2,1-6H3,(H,27,28,29);1H/q+1;/p-1
InChIKey NOROUFABQSKZNE-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 514.085 g/mol
Solvent DMSO-D6
Source File Reference UWLU22541