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Benzyl 5-(1-methyl-1H-imidazol-2-yl)-4-(4-nitrophenyl)-5-oxopentanoate
SpectraBase Compound ID 1CwOSWYkC9M
InChI InChI=1S/C22H21N3O5/c1-24-14-13-23-22(24)21(27)19(17-7-9-18(10-8-17)25(28)29)11-12-20(26)30-15-16-5-3-2-4-6-16/h2-10,13-14,19H,11-12,15H2,1H3
InChIKey YBAHKIMMZJLNSF-UHFFFAOYSA-N
Mol Weight 407.43 g/mol
Molecular Formula C22H21N3O5
Exact Mass 407.148121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNyOtjxRU39
Name Benzyl 5-(1-methyl-1H-imidazol-2-yl)-4-(4-nitrophenyl)-5-oxopentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O5
InChI InChI=1S/C22H21N3O5/c1-24-14-13-23-22(24)21(27)19(17-7-9-18(10-8-17)25(28)29)11-12-20(26)30-15-16-5-3-2-4-6-16/h2-10,13-14,19H,11-12,15H2,1H3
InChIKey YBAHKIMMZJLNSF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201600278
Molecular Weight 407.426 g/mol
SMILES C(CCC(C(=O)c1ncc[n]1C)c1ccc(cc1)[N+](=O)[O-])(=O)OCc1ccccc1
SPLASH splash10-0a4l-3490100000-f22fd9a0842746688f11
Source of Spectrum ASC-358-2474-13
Wiley ID 1798682