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Benzyl 4-(4-bromophenyl)-5-(1-methyl-1H-imidazol-2-yl)-5-oxopentanoate
SpectraBase Compound ID BRepvmZAnAn
InChI InChI=1S/C22H21BrN2O3/c1-25-14-13-24-22(25)21(27)19(17-7-9-18(23)10-8-17)11-12-20(26)28-15-16-5-3-2-4-6-16/h2-10,13-14,19H,11-12,15H2,1H3
InChIKey GBJCJIOYDJKDOZ-UHFFFAOYSA-N
Mol Weight 441.33 g/mol
Molecular Formula C22H21BrN2O3
Exact Mass 440.073556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2p0YqzJha84
Name Benzyl 4-(4-bromophenyl)-5-(1-methyl-1H-imidazol-2-yl)-5-oxopentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21BrN2O3
InChI InChI=1S/C22H21BrN2O3/c1-25-14-13-24-22(25)21(27)19(17-7-9-18(23)10-8-17)11-12-20(26)28-15-16-5-3-2-4-6-16/h2-10,13-14,19H,11-12,15H2,1H3
InChIKey GBJCJIOYDJKDOZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201600278
Molecular Weight 441.325 g/mol
SMILES C(CCC(C(=O)c1ncc[n]1C)c1ccc(cc1)Br)(=O)OCc1ccccc1
SPLASH splash10-0006-4390400000-ba1d30cfd2ed12ffd437
Source of Spectrum ASC-358-2474-10
Wiley ID 1798679