For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-{[2-(2,4-dichlorophenyl)-4-(p-methoxyphenethyl)-1,3-dioxolan-2-yl]methyl}imidazole, oxalate(1.1.5)(salt)

View entire compound with spectra: 1 NMR, and 1 FTIR

1-{[2-(2,4-dichlorophenyl)-4-(p-methoxyphenethyl)-1,3-dioxolan-2-yl]methyl}imidazole, oxalate(1.1.5)(salt)
SpectraBase Compound ID 6oSCtgqoZWC
InChI InChI=1S/2C22H22Cl2N2O3.3C2H2O4/c2*1-27-18-6-2-16(3-7-18)4-8-19-13-28-22(29-19,14-26-11-10-25-15-26)20-9-5-17(23)12-21(20)24;3*3-1(4)2(5)6/h2*2-3,5-7,9-12,15,19H,4,8,13-14H2,1H3;3*(H,3,4)(H,5,6)
InChIKey FIZSNDRRFXDGCV-UHFFFAOYSA-N
Mol Weight 568.39 g/mol
Molecular Formula C22H22Cl2N2O3·3/2C2H2O4
Exact Mass 567.093711 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1xeRuJmoRMl
Name 1-{[2-(2,4-DICHLOROPHENYL)-4-(p-METHOXYPHENETHYL)-1,3-DIOXOLAN-2-YL]METHYL}IMIDAZOLE, OXALATE (1:1.5) (SALT)
Source of Sample J. Heeres, Janssen Pharmaceutica, Beerse, Belgium
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H50Cl4N4O18
InChI InChI=1S/2C22H22Cl2N2O3.3C2H2O4/c2*1-27-18-6-2-16(3-7-18)4-8-19-13-28-22(29-19,14-26-11-10-25-15-26)20-9-5-17(23)12-21(20)24;3*3-1(4)2(5)6/h2*2-3,5-7,9-12,15,19H,4,8,13-14H2,1H3;3*(H,3,4)(H,5,6)
InChIKey FIZSNDRRFXDGCV-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 24, 1360(1981) Abstract-Chemical Abstracts= 95, 161770C(1981)
Melting Point 130.7C
Molecular Weight 1136.760010
Synonyms IMIDAZOLE, 1-//2-/2,4-DICHLORO- PHENYL/-4-/P-METHOXYPHENETHYL/- 1,3-DIOXOLAN-2-YL/METHYL/-, OXALATE /1 TO 1.5/ /SALT/
Technique KBr WAFER