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1-{[4-(o-chlorophenyl)-2-p-tolyl-1,3-dioxolan-2-yl]methyl}imidazole, mononitrate
SpectraBase Compound ID L4sScYu1GnI
InChI InChI=1S/C20H19ClN2O2.HNO3/c1-15-6-8-16(9-7-15)20(13-23-11-10-22-14-23)24-12-19(25-20)17-4-2-3-5-18(17)21;2-1(3)4/h2-11,14,19H,12-13H2,1H3;(H,2,3,4)
InChIKey UGWSSSJTYSHNOF-UHFFFAOYSA-N
Mol Weight 417.85 g/mol
Molecular Formula C20H20ClN3O5
Exact Mass 417.109148 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID L10mWqD1aEZ
Name 1-{[4-(o-CHLOROPHENYL)-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 C20H20ClN3O5
InChI InChI=1S/C20H19ClN2O2.HNO3/c1-15-6-8-16(9-7-15)20(13-23-11-10-22-14-23)24-12-19(25-20)17-4-2-3-5-18(17)21;2-1(3)4/h2-11,14,19H,12-13H2,1H3;(H,2,3,4)
InChIKey UGWSSSJTYSHNOF-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 24, 1360(1981) Abstract-Chemical Abstracts= 95, 161770C(1981)
Melting Point 207.5C
Molecular Weight 417.846008
Synonyms IMIDAZOLE, 1-//4-/O-CHLOROPHENYL/- 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