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2,3,3-Trichloro-2-propenyl 4-(2-benzoyl-4-chloroanilino)-4-oxobutanoate

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2,3,3-Trichloro-2-propenyl 4-(2-benzoyl-4-chloroanilino)-4-oxobutanoate
SpectraBase Compound ID 45ziClOu8p3
InChI InChI=1S/C20H15Cl4NO4/c21-13-6-7-16(14(10-13)19(28)12-4-2-1-3-5-12)25-17(26)8-9-18(27)29-11-15(22)20(23)24/h1-7,10H,8-9,11H2,(H,25,26)
InChIKey VESLMOPZSXDFCW-UHFFFAOYSA-N
Mol Weight 475.2 g/mol
Molecular Formula C20H15Cl4NO4
Exact Mass 472.975519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFdKQweBdnd
Name 2,3,3-Trichloro-2-propenyl 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 472.975518763 u
Formula C20H15Cl4NO4
InChI InChI=1S/C20H15Cl4NO4/c21-13-6-7-16(14(10-13)19(28)12-4-2-1-3-5-12)25-17(26)8-9-18(27)29-11-15(22)20(23)24/h1-7,10H,8-9,11H2,(H,25,26)
InChIKey VESLMOPZSXDFCW-UHFFFAOYSA-N
Molecular Weight 475.155 g/mol
SMILES N(C1=C(C(=O)C=2C=CC=CC2)C=C(C=C1)Cl)C(=O)CCC(OCC(=C(Cl)Cl)Cl)=O