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1-(p-aminophenyl)-4-{p-{{2-(2,4-dichlorophenyl)-2-[(imidazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy}phenyl}piperazine
SpectraBase Compound ID 9av8X2INcxJ
InChI InChI=1S/C30H31Cl2N5O3/c31-22-1-10-28(29(32)17-22)30(20-35-12-11-34-21-35)39-19-27(40-30)18-38-26-8-6-25(7-9-26)37-15-13-36(14-16-37)24-4-2-23(33)3-5-24/h1-12,17,21,27H,13-16,18-20,33H2/t27-,30-/s2
InChIKey XYPSJKPZCXEKKA-SLHMGVEVSA-N
Mol Weight 580.52 g/mol
Molecular Formula C30H31Cl2N5O3
Exact Mass 579.180395 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID H5KXsM3pRJH
Name 1-(p-AMINOPHENYL)-4-{p-{{2-(2,4-DICHLOROPHENYL)-2-[(IMIDAZOL-1-YL)METHYL]-1,3-DIOXOLAN-4-YL}METHOXY}PHENYL}PIPERAZINE
Source of Sample J. Heeres, Janssen Pharmaceutica, Beerse, Belgium
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H31Cl2N5O3
InChI InChI=1S/C30H31Cl2N5O3/c31-22-1-10-28(29(32)17-22)30(20-35-12-11-34-21-35)39-19-27(40-30)18-38-26-8-6-25(7-9-26)37-15-13-36(14-16-37)24-4-2-23(33)3-5-24/h1-12,17,21,27H,13-16,18-20,33H2/t27-,30-/s2
InChIKey XYPSJKPZCXEKKA-SLHMGVEVSA-N
Literature Reference J. MED. CHEM. 27, 894(1984) Abstract-Chemical Abstracts= 101, 23402A(1984)
Molecular Weight 580.510010
Synonyms PIPERAZINE, 1-/P-AMINOPHENYL/- 4-/P-//2-/2,4-DICHLOROPHENYL/- 2-//IMIDAZOL-1-YL/METHYL/-1,3-DIOXOLAN- 4-YL/METHOXY/PHENYL/-,
Technique KBr WAFER