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N-(2-benzoyl-4-chlorophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide
SpectraBase Compound ID KpDPB7MpvMs
InChI InChI=1S/C27H18Cl3NO3/c28-20-9-11-24(22(14-20)26(32)18-6-2-1-3-7-18)31-27(33)19-8-4-5-17(13-19)16-34-25-12-10-21(29)15-23(25)30/h1-15H,16H2,(H,31,33)
InChIKey DYHAEFPSHOMKKF-UHFFFAOYSA-N
Mol Weight 510.8 g/mol
Molecular Formula C27H18Cl3NO3
Exact Mass 509.035227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7zXIKnskSGF
Name N-(2-Benzoyl-4-chlorophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 509.035226541 u
Formula C27H18Cl3NO3
InChI InChI=1S/C27H18Cl3NO3/c28-20-9-11-24(22(14-20)26(32)18-6-2-1-3-7-18)31-27(33)19-8-4-5-17(13-19)16-34-25-12-10-21(29)15-23(25)30/h1-15H,16H2,(H,31,33)
InChIKey DYHAEFPSHOMKKF-UHFFFAOYSA-N
Molecular Weight 510.804 g/mol
SMILES N(C(C1=CC(COC=2C(=CC(=CC2)Cl)Cl)=CC=C1)=O)C1=C(C(=O)C=2C=CC=CC2)C=C(C=C1)Cl