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1-{[2-(2,4-dichlorophenyl)-4-(p-methoxybenzyl)-1,3-dioxolan-2-yl]methyl}imidazole, oxalate(1.2) (salt)
SpectraBase Compound ID FneeqbzTNY3
InChI InChI=1S/C21H20Cl2N2O3.2C2H2O4/c1-26-17-5-2-15(3-6-17)10-18-12-27-21(28-18,13-25-9-8-24-14-25)19-7-4-16(22)11-20(19)23;2*3-1(4)2(5)6/h2-9,11,14,18H,10,12-13H2,1H3;2*(H,3,4)(H,5,6)
InChIKey CONWJMPPBIHDQN-UHFFFAOYSA-N
Mol Weight 599.38 g/mol
Molecular Formula C25H24Cl2N2O11
Exact Mass 598.075715 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID F6QMxR9Z03J
Name 1-{[2-(2,4-DICHLOROPHENYL)-4-(p-METHOXYBENZYL)-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 C25H24Cl2N2O11
InChI InChI=1S/C21H20Cl2N2O3.2C2H2O4/c1-26-17-5-2-15(3-6-17)10-18-12-27-21(28-18,13-25-9-8-24-14-25)19-7-4-16(22)11-20(19)23;2*3-1(4)2(5)6/h2-9,11,14,18H,10,12-13H2,1H3;2*(H,3,4)(H,5,6)
InChIKey CONWJMPPBIHDQN-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 24, 1360(1981) Abstract-Chemical Abstracts= 95, 161770C(1981)
Melting Point 94.2C
Molecular Weight 599.369995
Synonyms IMIDAZOLE, 1-//2-/2,4-DICHLORO- PHENYL/-4-/P-METHOXYBENZYL/-1,3-DIOXOL- AN-2-YL/METHYL/-, OXALATE /1 TO 2/ /SALT/
Technique KBr WAFER