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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
1-[2-(2,4-difluorophenyl)-3-(ethylthio)-3,3-difluoro-2-phenylmethoxypropyl]-1,2,4-triazole
Phenobarbital-D5 2TMS
5-(2''-Hydroxy-4''-methoxy-3'',6''-dioxocyclohexa-1'',4''-dienyl)-4-(3',4',5'-trimethoxyphenyl)oxazole
N-(3-chloro-4-fluorophenyl)-2-(3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-3,4-dihydro-1(2H)-quinazolinyl)acetamide
4-(4-acetoxyphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester
6-Bromanyl-3-(3,4-dihydro-2H-quinolin-1-ylcarbonyl)-8-methoxy-chromen-2-one
((3S,4R)-2,4-Diphenyl-5-trifluoromethyl-3,4-dihydro-2H-pyrazol-3-yl)-thiophen-2-yl-methanone
Other Resources
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