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#8A/4;6,7-DIMETHOXY-3-METHYL-1-[4-(2-PROPYLPHENYL)]-2-[5-[3-[4-(3-CHLOROPHENYL)-PIPERAZIN-1-YL]-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-1,2-DIHYDROISOQUINOLINE

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#8A/4;6,7-DIMETHOXY-3-METHYL-1-[4-(2-PROPYLPHENYL)]-2-[5-[3-[4-(3-CHLOROPHENYL)-PIPERAZIN-1-YL]-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-1,2-DIHYDROISOQUINOLINE
SpectraBase Compound ID AkeLIEb9s9I
InChI InChI=1S/C36H43ClN6O2S/c1-24(2)26-10-12-27(13-11-26)34-31-23-33(45-5)32(44-4)21-28(31)20-25(3)43(34)35-38-36(40-39-35)46-19-7-14-41-15-17-42(18-16-41)30-9-6-8-29(37)22-30/h6,8-13,20-24,34H,7,14-19H2,1-5H3,(H,38,39,40)
InChIKey UUNXBFKCPTVSAW-UHFFFAOYSA-N
Mol Weight 659.3 g/mol
Molecular Formula C36H43ClN6O2S
Exact Mass 658.285674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5kmxvdOdT7p
Name #8A/4;6,7-DIMETHOXY-3-METHYL-1-[4-(2-PROPYLPHENYL)]-2-[5-[3-[4-(3-CHLOROPHENYL)-PIPERAZIN-1-YL]-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-1,2-DIHYDROISOQUINOLINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H43ClN6O2S
InChI InChI=1S/C36H43ClN6O2S/c1-24(2)26-10-12-27(13-11-26)34-31-23-33(45-5)32(44-4)21-28(31)20-25(3)43(34)35-38-36(40-39-35)46-19-7-14-41-15-17-42(18-16-41)30-9-6-8-29(37)22-30/h6,8-13,20-24,34H,7,14-19H2,1-5H3,(H,38,39,40)
InChIKey UUNXBFKCPTVSAW-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 659.289 g/mol
Solvent CDCl3
Source File Reference UWLU22526