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1-{[4-(p-bromobenzyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}imidazole, oxalate (1.2) (salt)
SpectraBase Compound ID AmQGPDYT9ZB
InChI InChI=1S/C20H17BrCl2N2O2.2C2H2O4/c21-15-3-1-14(2-4-15)9-17-11-26-20(27-17,12-25-8-7-24-13-25)18-6-5-16(22)10-19(18)23;2*3-1(4)2(5)6/h1-8,10,13,17H,9,11-12H2;2*(H,3,4)(H,5,6)
InChIKey DDWKOGVTQDSULE-UHFFFAOYSA-N
Mol Weight 648.25 g/mol
Molecular Formula C24H21BrCl2N2O10
Exact Mass 645.975663 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 39rVvptgdv6
Name 1-{[4-(p-BROMOBENZYL)-2-(2,4-DICHLOROPHENYL)-1,3-DIOXOLAN-2-YL]METHYL}IMIDAZOLE, OXALATE (1:2) (SALT)
Source of Sample J. Heeres, Janssen Pharmaceutica, Beerse, Belgium
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21BrCl2N2O10
InChI InChI=1S/C20H17BrCl2N2O2.2C2H2O4/c21-15-3-1-14(2-4-15)9-17-11-26-20(27-17,12-25-8-7-24-13-25)18-6-5-16(22)10-19(18)23;2*3-1(4)2(5)6/h1-8,10,13,17H,9,11-12H2;2*(H,3,4)(H,5,6)
InChIKey DDWKOGVTQDSULE-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 24, 1360(1981) Abstract-Chemical Abstracts= 95, 161770C(1981)
Melting Point 128.8C
Molecular Weight 648.245972
Synonyms IMIDAZOLE, 1-//4-/P-BROMOBENZYL/- 2-/2,4-DICHLOROPHENYL/-1,3-DIOXOLAN- 2-YL/METHYL/-, OXALATE /1 TO 2/ /SALT/
Technique KBr WAFER