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2,4-Di(4-chlorobenzoyl)-3,5-diphenyl-6-(4-methoxyphenyl)aniline

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2,4-Di(4-chlorobenzoyl)-3,5-diphenyl-6-(4-methoxyphenyl)aniline
SpectraBase Compound ID 1VNfXwcSRFg
InChI InChI=1S/C39H27Cl2NO3/c1-45-31-22-16-26(17-23-31)34-32(24-8-4-2-5-9-24)35(38(43)27-12-18-29(40)19-13-27)33(25-10-6-3-7-11-25)36(37(34)42)39(44)28-14-20-30(41)21-15-28/h2-23H,42H2,1H3
InChIKey WCZMALRPUGGYKW-UHFFFAOYSA-N
Mol Weight 628.6 g/mol
Molecular Formula C39H27Cl2NO3
Exact Mass 627.136799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9OTrWILBIdM
Name 2,4-di(4-Chlorobenzoyl)-3,5-diphenyl-6-(4-methoxyphenyl)aniline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 627.136799130 u
Formula C39H27Cl2NO3
InChI InChI=1S/C39H27Cl2NO3/c1-45-31-22-16-26(17-23-31)34-32(24-8-4-2-5-9-24)35(38(43)27-12-18-29(40)19-13-27)33(25-10-6-3-7-11-25)36(37(34)42)39(44)28-14-20-30(41)21-15-28/h2-23H,42H2,1H3
InChIKey WCZMALRPUGGYKW-UHFFFAOYSA-N
Molecular Weight 628.555 g/mol
SMILES C=1(N)C(=C(C(=C(C1C=1C=CC(=CC1)OC)C=1C=CC=CC1)C(C=1C=CC(=CC1)Cl)=O)C=1C=CC=CC1)C(C=1C=CC(=CC1)Cl)=O