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Benzyl 4-(4-chlorophenyl)-5-(1-methyl-1H-imidazol-2-yl)-5-oxopentanoate
SpectraBase Compound ID 3H3hEVH7kYH
InChI InChI=1S/C22H21ClN2O3/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 AXTODRMHMRDTFL-UHFFFAOYSA-N
Mol Weight 396.87 g/mol
Molecular Formula C22H21ClN2O3
Exact Mass 396.12407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xUKVIfA8On
Name Benzyl 4-(4-chlorophenyl)-5-(1-methyl-1H-imidazol-2-yl)-5-oxopentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21ClN2O3
InChI InChI=1S/C22H21ClN2O3/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 AXTODRMHMRDTFL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201600278
Molecular Weight 396.874 g/mol
SMILES C(CCC(C(=O)c1ncc[n]1C)c1ccc(cc1)Cl)(=O)OCc1ccccc1
SPLASH splash10-0002-4395000000-c56cdde2c6ec5dcfb04d
Source of Spectrum ASC-358-2474-11
Wiley ID 1798680