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4-{4-[[CIS-2-(2,4-DICHLOROPHENYL)-2-[(1H-IMIDAZOL-1-YL)-METHYL]-1,3-DIOXALAN-4-YL]-METHYLENEOXY]-PHENYL}-PIPERAZINE
SpectraBase Compound ID ENUnVspbfrs
InChI InChI=1S/C24H26Cl2N4O3/c25-18-1-6-22(23(26)13-18)24(16-29-10-7-28-17-29)32-15-21(33-24)14-31-20-4-2-19(3-5-20)30-11-8-27-9-12-30/h1-7,10,13,17,21,27H,8-9,11-12,14-16H2/t21-,24-/m1/s1
InChIKey LOUXSEJZCPKWAX-ZJSXRUAMSA-N
Mol Weight 489.4 g/mol
Molecular Formula C24H26Cl2N4O3
Exact Mass 488.138196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lXikKhNn8m
Name 1-(4-[2-(2,4-Dichlorophenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethoxy]phenylpiperazine
Alternate Name(s) 1-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
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Formula C24H26Cl2N4O3
InChI InChI=1S/C24H26Cl2N4O3/c25-18-1-6-22(23(26)13-18)24(16-29-10-7-28-17-29)32-15-21(33-24)14-31-20-4-2-19(3-5-20)30-11-8-27-9-12-30/h1-7,10,13,17,21,27H,8-9,11-12,14-16H2/t21-,24-/m1/s1
InChIKey LOUXSEJZCPKWAX-ZJSXRUAMSA-N
Molecular Weight 489.403 g/mol
SMILES N1CCN(CC1)c1ccc(OC[C@]2(O[C@](c3c(cc(cc3)Cl)Cl)(OC2)C[n]2cncc2)[H])cc1
SPLASH splash10-08j1-1300900000-e401648374ec4deab54f
Source of Spectrum QC-24-463-4
Wiley ID 1584059