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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]-1,2-DIHYDROISOQUINOLINE

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]-1,2-DIHYDROISOQUINOLINE
SpectraBase Compound ID 326s6ScobVe
InChI InChI=1S/2C26H33N5O2S/c2*1-17-8-10-19(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/h2*8-11,14-16,24H,7,12-13H2,1-6H3,(H,27,28,29)
InChIKey XLWUVIOWJPUVAU-UHFFFAOYSA-N
Mol Weight 959.3 g/mol
Molecular Formula C52H66N10O4S2
Exact Mass 958.470993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2zfNWeuCaiF
Name 6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-[5-[3-(N,N-DIMETHILAMINO)-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-1,2-DIHYDROISOQUINOLINE
Compound Number 8A/3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H66N10O4S2
InChI InChI=1S/2C26H33N5O2S/c2*1-17-8-10-19(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/h2*8-11,14-16,24H,7,12-13H2,1-6H3,(H,27,28,29)
InChIKey XLWUVIOWJPUVAU-UHFFFAOYSA-N
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 959.281 g/mol
Solvent CDCl3
Source File Reference UWLU22525