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cis-1-sec-butyl-4-{p-{4-{p-{{2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl}-1-piperazinyl}phenyl}-deltasquare-1,2,4-triazolin-5-one

Compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

cis-1-sec-butyl-4-{p-{4-{p-{{2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl}-1-piperazinyl}phenyl}-deltasquare-1,2,4-triazolin-5-one
SpectraBase Compound ID 7FivGfBlYzV
InChI InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/s2
InChIKey VHVPQPYKVGDNFY-WGEGMAFPSA-N
Mol Weight 705.6 g/mol
Molecular Formula C35H38Cl2N8O4
Exact Mass 704.239307 g/mol

View Spectrum of cis-1-sec-butyl-4-{p-{4-{p-{{2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl}-1-piperazinyl}phenyl}-deltasquare-1,2,4-triazolin-5-one

13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample J. Heeres, Janssen Pharmaceutica, Beerse, Belgium
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20

View Spectrum of cis-1-sec-butyl-4-{p-{4-{p-{{2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl}-1-piperazinyl}phenyl}-deltasquare-1,2,4-triazolin-5-one

1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CDCl3

View Spectrum of cis-1-sec-butyl-4-{p-{4-{p-{{2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl}-1-piperazinyl}phenyl}-deltasquare-1,2,4-triazolin-5-one

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample J. Heeres, Janssen Pharmaceutica, Beerse, Belgium
Technique KBr WAFER

View Spectrum of cis-1-sec-butyl-4-{p-{4-{p-{{2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl}-1-piperazinyl}phenyl}-deltasquare-1,2,4-triazolin-5-one

UV-Vis Spectrum
Copyright Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol
  • TRIAZOLIN-5-ONE, D<2-1,2,4-, 1-SEC-BUTYL-4-/P-/4-/P-//2-/2,4-DI- CHLOROPHENYL/-2-//1H-1,2,4-TRIAZOL-1- YL/METHYL/-1,3-DIOXOLAN-4-YL/METHOXY/- PHENYL/-1-PIPERAZINYL/PHENYL/-, CIS-,
cis-1-butyl-4-{p-{4-{p-{{2-(2,4-dichlorophenyl)-2-[(imidazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy}phenyl}-1-piperazinyl}phenyl}-3-methyl-delta^2-1,2,4-triazolin-5-one
1-(4-(3-[4-(4-Acetylpiperizin-1-yl)phenoxy]-4-[2-(2,4-dichlorophenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethoxy]phenylpiperazin-1-yl)ethanone
1-[3'-Methylbenzthiazol-2'(3H)-on-6'-yl]-4-{4'-[2"-(2"',4"'-dichlorophenyl)-2'(1H-imidazol-1"-ylmethyl)-1',3'-dioxolan-4'-yl]methyleneoxy]phenyl}piperazine
2,6-Dimethyl-6-(4-methyl-3,5-dioxo-[1,2,4]triazolidin-1-yl)-5,6-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
1-[3'-Methylbenzoxazol-2'(3H)-on-6'-yl]-4-{4'-[2"-(2"',4"'-dichlorophenyl)-2'(1H-imidazol-1"-ylmethyl)-1',3'-dioxolan-4'-yl]methyleneoxy]phenyl}piperazine
pentyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
acetamide, 2-[[7-[2-(1-cyclohexen-1-yl)ethyl]-7,8-dihydro-8-oxo[1,3]dioxolo[4,5-g]quinazolin-6-yl]thio]-N-(phenylmethyl)-
Methyl ((24-oxo-3-[(trimethylsilyl)oxy]cholan-24-yl)amino)acetate
acetamide, 2-[[5-acetyl-4-(2-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl]thio]-N-(4-ethoxyphenyl)-
Phenobarbital-D5 2TMS
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