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2-Chloro-1-(chloromethyl)ethyl 4-(2-benzoyl-4-chloroanilino)-4-oxobutanoate

View entire compound with spectra: 2 NMR

2-Chloro-1-(chloromethyl)ethyl 4-(2-benzoyl-4-chloroanilino)-4-oxobutanoate
SpectraBase Compound ID 2qPs0kQh7l8
InChI InChI=1S/C20H18Cl3NO4/c21-11-15(12-22)28-19(26)9-8-18(25)24-17-7-6-14(23)10-16(17)20(27)13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,24,25)
InChIKey DFIWFMTYUIQWBY-UHFFFAOYSA-N
Mol Weight 442.73 g/mol
Molecular Formula C20H18Cl3NO4
Exact Mass 441.030141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ojNSf3zH8o
Name 2-Chloro-1-(chloromethyl)ethyl 4-(2-benzoyl-4-chloroanilino)-4-oxobutanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.030141160 u
Formula C20H18Cl3NO4
InChI InChI=1S/C20H18Cl3NO4/c21-11-15(12-22)28-19(26)9-8-18(25)24-17-7-6-14(23)10-16(17)20(27)13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,24,25)
InChIKey DFIWFMTYUIQWBY-UHFFFAOYSA-N
Molecular Weight 442.726 g/mol
SMILES N(C1=C(C(=O)C=2C=CC=CC2)C=C(C=C1)Cl)C(=O)CCC(OC(CCl)CCl)=O