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1-{p-{{2-(2,4-dichlorophenyl)-2-[(imidazol-1-yl)methyl]-1,3, -dioxolan-4-yl}methoxy}phenyl}-4-(p-nitrophenyl)piperazine
SpectraBase Compound ID AMCC7ZmhOKA
InChI InChI=1S/C30H29Cl2N5O5/c31-22-1-10-28(29(32)17-22)30(20-34-12-11-33-21-34)41-19-27(42-30)18-40-26-8-6-24(7-9-26)36-15-13-35(14-16-36)23-2-4-25(5-3-23)37(38)39/h1-12,17,21,27H,13-16,18-20H2/t27-,30-/s2
InChIKey CVVDHYVUVYYWML-SLHMGVEVSA-N
Mol Weight 610.5 g/mol
Molecular Formula C30H29Cl2N5O5
Exact Mass 609.154574 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID DFk7RRJZmyZ
Name 1-{p-{{2-(2,4-DICHLOROPHENYL)-2-[(IMIDAZOL-1-YL)METHYL]-1,3-DIOXOLAN-4-YL}METHOXY}PHENYL}-4-(p-NITROPHENYL)PIPERAZINE
Source of Sample J. Heeres, Janssen Pharmaceutica, Beerse, Belgium
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H29Cl2N5O5
InChI InChI=1S/C30H29Cl2N5O5/c31-22-1-10-28(29(32)17-22)30(20-34-12-11-33-21-34)41-19-27(42-30)18-40-26-8-6-24(7-9-26)36-15-13-35(14-16-36)23-2-4-25(5-3-23)37(38)39/h1-12,17,21,27H,13-16,18-20H2/t27-,30-/s2
InChIKey CVVDHYVUVYYWML-SLHMGVEVSA-N
Literature Reference J. MED. CHEM. 27, 894(1984) Abstract-Chemical Abstracts= 101, 23402A(1984)
Molecular Weight 610.492004
Synonyms PIPERAZINE, 1-/P-//2-/2,4-DICHLORO- PHENYL/-2-//IMIDAZOL-1-YL/METHYL/- 1,3-DIOXOLAN-4-YL/METHOXY/PHENYL/- 4-/P-NITROPHENYL/-,
Technique KBr WAFER