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Butanoic acid, 4-[(2,4-dichlorophenyl)amino]-4-oxo-, 2-(4-bromophenyl)-2-oxoethyl ester

View entire compound with spectra: 2 NMR

Butanoic acid, 4-[(2,4-dichlorophenyl)amino]-4-oxo-, 2-(4-bromophenyl)-2-oxoethyl ester
SpectraBase Compound ID A3KghKSUM2T
InChI InChI=1S/C18H14BrCl2NO4/c19-12-3-1-11(2-4-12)16(23)10-26-18(25)8-7-17(24)22-15-6-5-13(20)9-14(15)21/h1-6,9H,7-8,10H2,(H,22,24)
InChIKey HUJYRPNJTUBLPY-UHFFFAOYSA-N
Mol Weight 459.12 g/mol
Molecular Formula C18H14BrCl2NO4
Exact Mass 456.948326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5LwLvf1PxsI
Name Butanoic acid, 4-[(2,4-dichlorophenyl)amino]-4-oxo-, 2-(4-bromophenyl)-2-oxoethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.948326331 u
Formula C18H14BrCl2NO4
InChI InChI=1S/C18H14BrCl2NO4/c19-12-3-1-11(2-4-12)16(23)10-26-18(25)8-7-17(24)22-15-6-5-13(20)9-14(15)21/h1-6,9H,7-8,10H2,(H,22,24)
InChIKey HUJYRPNJTUBLPY-UHFFFAOYSA-N
Molecular Weight 459.123 g/mol
SMILES N(C=1C(=CC(=CC1)Cl)Cl)C(=O)CCC(OCC(C1=CC=C(C=C1)Br)=O)=O