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1-{[2-(p-chlorophenyl)-4-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}imidazole, mononitrate
SpectraBase Compound ID 1Fxc8ZrmLN4
InChI InChI=1S/C19H15Cl3N2O2.HNO3/c20-14-3-1-13(2-4-14)19(11-24-8-7-23-12-24)25-10-18(26-19)16-6-5-15(21)9-17(16)22;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
InChIKey PNXNXQFJTUKSIR-UHFFFAOYSA-N
Mol Weight 472.71 g/mol
Molecular Formula C19H16Cl3N3O5
Exact Mass 471.015554 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID KzQiynrhF7N
Name 1-{[2-(p-CHLOROPHENYL)-4-(2,4-DICHLOROPHENYL)-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 C19H16Cl3N3O5
InChI InChI=1S/C19H15Cl3N2O2.HNO3/c20-14-3-1-13(2-4-14)19(11-24-8-7-23-12-24)25-10-18(26-19)16-6-5-15(21)9-17(16)22;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
InChIKey PNXNXQFJTUKSIR-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 24, 1360(1981) Abstract-Chemical Abstracts= 95, 161770C(1981)
Melting Point 196.6C
Molecular Weight 472.703003
Synonyms IMIDAZOLE, 1-//2-/P-CHLOROPHENYL/- 4-/2,4-DICHLOROPHENYL/-1,3-DIOXOLAN- 2-YL/METHYL/-, MONONITRATE
Technique 4000-1350 CM^-^1=MULLED IN PERFLUORINATED HYDROCARBON; 1350-450 CM^-^1=MULLED IN MINERAL OIL