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1-{[4-(2,4-dichlorophenyl)-2-p-tolyl-1,3-dioxolan-2-yl]methyl]imidazole, mononitrate
SpectraBase Compound ID 1AWppYVs7f3
InChI InChI=1S/C20H18Cl2N2O2.HNO3/c1-14-2-4-15(5-3-14)20(12-24-9-8-23-13-24)25-11-19(26-20)17-7-6-16(21)10-18(17)22;2-1(3)4/h2-10,13,19H,11-12H2,1H3;(H,2,3,4)
InChIKey JEDQKDBQZIMVJZ-UHFFFAOYSA-N
Mol Weight 452.29 g/mol
Molecular Formula C20H19Cl2N3O5
Exact Mass 451.070176 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JhfRtLXl2sj
Name 1-{[4-(2,4-DICHLOROPHENYL)-2-p-TOLYL-1,3-DIOXOLAN-2-YL]METHYL}IMIDAZOLE, MONONITRATE
Source of Sample J. Heeres, Janssen Pharmaceutica, Beerse, Belgium
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19Cl2N3O5
InChI InChI=1S/C20H18Cl2N2O2.HNO3/c1-14-2-4-15(5-3-14)20(12-24-9-8-23-13-24)25-11-19(26-20)17-7-6-16(21)10-18(17)22;2-1(3)4/h2-10,13,19H,11-12H2,1H3;(H,2,3,4)
InChIKey JEDQKDBQZIMVJZ-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 24, 1360(1981) Abstract-Chemical Abstracts= 95, 161770C(1981)
Melting Point 193.6C
Molecular Weight 452.287994
Synonyms IMIDAZOLE, 1-//4-/2,4-DICHLORO- PHENYL/-2-P-TOLYL-1,3-DIOXOLAN-2-YL/- METHYL/-, MONONITRATE
Technique 4000-1350 CM^-^1=MULLED IN PERFLUORINATED HYDROCARBON; 1350-450 CM^-^1=MULLED IN MINERAL OIL