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1-[3-(2,4-dichlorophenyl)-2-o-tolylpropyl]imidazole, mononitrate

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

1-[3-(2,4-dichlorophenyl)-2-o-tolylpropyl]imidazole, mononitrate
SpectraBase Compound ID 8TGQtqyleQD
InChI InChI=1S/C19H18Cl2N2.HNO3/c1-14-4-2-3-5-18(14)16(12-23-9-8-22-13-23)10-15-6-7-17(20)11-19(15)21;2-1(3)4/h2-9,11,13,16H,10,12H2,1H3;(H,2,3,4)
InChIKey XELPWRGFPGNZIF-UHFFFAOYSA-N
Mol Weight 408.285 g/mol
Molecular Formula C19H19Cl2N3O3
Exact Mass 407.080347 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LQcKlyJqn7B
Name 1-[3-(2,4-DICHLOROPHENYL)-2-o-TOLYLPROPYL]IMIDAZOLE, MONONITRATE
Source of Sample J. Heeres, Janssen Pharmaceutica, Beerse, Belgium
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19Cl2N3O3
InChI InChI=1S/C19H18Cl2N2.HNO3/c1-14-4-2-3-5-18(14)16(12-23-9-8-22-13-23)10-15-6-7-17(20)11-19(15)21;2-1(3)4/h2-9,11,13,16H,10,12H2,1H3;(H,2,3,4)
InChIKey XELPWRGFPGNZIF-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 20, 1511(1977) Abstract-Chemical Abstracts= 87, 201405(1977)
Melting Point 136.8C
Molecular Weight 408.278992
Synonyms IMIDAZOLE, 1-/3-/2,4-DICHLORO- PHENYL/-2-O-TOLYLPROPYL/-, MONONITRATE
Technique FILM (CAST FROM CHCl3)