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1-{[2-(2,4-dichlorophenyl)-4-(p-phenylbenzyl)-1,3-dioxolan-2-yl]methyl}imidazole, oxalate (1:1) (salt)
SpectraBase Compound ID F5R6rhxvE4F
InChI InChI=1S/C26H22Cl2N2O2.C2H2O4/c27-22-10-11-24(25(28)15-22)26(17-30-13-12-29-18-30)31-16-23(32-26)14-19-6-8-21(9-7-19)20-4-2-1-3-5-20;3-1(4)2(5)6/h1-13,15,18,23H,14,16-17H2;(H,3,4)(H,5,6)
InChIKey XHFUISAJXCAGPJ-UHFFFAOYSA-N
Mol Weight 555.41 g/mol
Molecular Formula C28H24Cl2N2O6
Exact Mass 554.101142 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3YjaTBmQio2
Name 1-{[2-(2,4-DICHLOROPHENYL)-4-(p-PHENYLBENZYL)-1,3-DIOXOLAN-2-YL]METHYL}IMIDAZOLE, OXALATE (1:1) (SALT)
Source of Sample J. Heeres, Janssen Pharmaceutica, Beerse, Belgium
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24Cl2N2O6
InChI InChI=1S/C26H22Cl2N2O2.C2H2O4/c27-22-10-11-24(25(28)15-22)26(17-30-13-12-29-18-30)31-16-23(32-26)14-19-6-8-21(9-7-19)20-4-2-1-3-5-20;3-1(4)2(5)6/h1-13,15,18,23H,14,16-17H2;(H,3,4)(H,5,6)
InChIKey XHFUISAJXCAGPJ-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 24, 1360(1981) Abstract-Chemical Abstracts= 95, 161770C(1981)
Melting Point 116.8C
Molecular Weight 555.414360
Synonyms IMIDAZOLE, 1-//2-/2,4-DICHLORO- PHENYL/-4-/P-PHENYLBENZYL/-1,3-DIOXOL- AN-2-YL/METHYL/-, OXALATE /1 TO 1/ /SALT/
Technique KBr WAFER