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1-{[4-(p-chlorophenethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}imidazole, oxalate(1.2) (salt)
SpectraBase Compound ID KzEKvBBsd1c
InChI InChI=1S/C21H19Cl3N2O2.2C2H2O4/c22-16-4-1-15(2-5-16)3-7-18-12-27-21(28-18,13-26-10-9-25-14-26)19-8-6-17(23)11-20(19)24;2*3-1(4)2(5)6/h1-2,4-6,8-11,14,18H,3,7,12-13H2;2*(H,3,4)(H,5,6)
InChIKey UTFLUQXHFRNOSW-UHFFFAOYSA-N
Mol Weight 617.82 g/mol
Molecular Formula C25H23Cl3N2O10
Exact Mass 616.041828 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HH6dFCtaonE
Name 1-{[4-(p-CHLOROPHENETHYL)-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 C25H23Cl3N2O10
InChI InChI=1S/C21H19Cl3N2O2.2C2H2O4/c22-16-4-1-15(2-5-16)3-7-18-12-27-21(28-18,13-26-10-9-25-14-26)19-8-6-17(23)11-20(19)24;2*3-1(4)2(5)6/h1-2,4-6,8-11,14,18H,3,7,12-13H2;2*(H,3,4)(H,5,6)
InChIKey UTFLUQXHFRNOSW-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 24, 1360(1981) Abstract-Chemical Abstracts= 95, 161770C(1981)
Melting Point 131.9C
Molecular Weight 617.812988
Synonyms IMIDAZOLE, 1-//4-/P-CHLOROPHEN- ETHYL/-2-/2,4-DICHLOROPHENYL/- 1,3-DIOXOLAN-2-YL/METHYL/-, OXALATE /1 TO 2/ /SALT/
Technique KBr WAFER