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2-[(4-Chlorobenzoyl)(2-ethoxycarbonylbenzyl)methylene]-1H-imidazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[(4-Chlorobenzoyl)(2-ethoxycarbonylbenzyl)methylene]-1H-imidazole
SpectraBase Compound ID DCOzwbFIIQi
InChI InChI=1S/C21H21ClN2O3/c1-2-27-21(26)17-6-4-3-5-15(17)13-18(20-23-11-12-24-20)19(25)14-7-9-16(22)10-8-14/h3-10,23-24H,2,11-13H2,1H3
InChIKey HBDYIPPOGAGTDT-UHFFFAOYSA-N
Mol Weight 384.86 g/mol
Molecular Formula C21H21ClN2O3
Exact Mass 384.12407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQylejGtYFW
Name 2-[(4-Chlorobenzoyl)(2-ethoxycarbonylbenzyl)methylene]-1H-imidazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.124070241 u
Formula C21H21ClN2O3
InChI InChI=1S/C21H21ClN2O3/c1-2-27-21(26)17-6-4-3-5-15(17)13-18(20-23-11-12-24-20)19(25)14-7-9-16(22)10-8-14/h3-10,23-24H,2,11-13H2,1H3
InChIKey HBDYIPPOGAGTDT-UHFFFAOYSA-N
Molecular Weight 384.863 g/mol
SMILES C(=C1NCCN1)(C(C1=CC=C(C=C1)Cl)=O)CC1=C(C(=O)OCC)C=CC=C1