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1-[4-(o-bromophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole, oxalate(1:2)

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

1-[4-(o-bromophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole, oxalate(1:2)
SpectraBase Compound ID HZvsdjsioiV
InChI InChI=1S/C19H17BrCl2N2O.2C2H2O4/c20-17-3-1-2-4-19(17)25-10-7-14(12-24-9-8-23-13-24)16-6-5-15(21)11-18(16)22;2*3-1(4)2(5)6/h1-6,8-9,11,13-14H,7,10,12H2;2*(H,3,4)(H,5,6)
InChIKey JBGRLPHEKAVJKM-UHFFFAOYSA-N
Mol Weight 620.24 g/mol
Molecular Formula C23H21BrCl2N2O9
Exact Mass 617.980749 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID WYXuVYXMbk
Name 1-[4-(o-BROMOPHENOXY)-2-(2,4-DICHLOROPHENYL)BUTYL]IMIDAZOLE, OXALATE (1:2)
Source of Sample J. Heeres, Janssen Pharmaceutica, Beerse, Belgium
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21BrCl2N2O9
InChI InChI=1S/C19H17BrCl2N2O.2C2H2O4/c20-17-3-1-2-4-19(17)25-10-7-14(12-24-9-8-23-13-24)16-6-5-15(21)11-18(16)22;2*3-1(4)2(5)6/h1-6,8-9,11,13-14H,7,10,12H2;2*(H,3,4)(H,5,6)
InChIKey JBGRLPHEKAVJKM-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 20, 1516(1977) Abstract-Chemical Abstracts= 87, 167942(1977)
Melting Point 114.2C
Molecular Weight 620.236023
Synonyms IMIDAZOLE, 1-/4-/O-BROMOPHENOXY/- 2-/2,4-DICHLOROPHENYL/BUTYL/-, OXALATE /1 TO 2/
Technique FILM (CAST FROM CHCl3)