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2,4-Di(4-chlorobenzoyl)-3,5,6-triphenylaniline

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2,4-Di(4-chlorobenzoyl)-3,5,6-triphenylaniline
SpectraBase Compound ID KcdQ7py4xvP
InChI InChI=1S/C38H25Cl2NO2/c39-29-20-16-27(17-21-29)37(42)34-31(24-10-4-1-5-11-24)33(26-14-8-3-9-15-26)36(41)35(32(34)25-12-6-2-7-13-25)38(43)28-18-22-30(40)23-19-28/h1-23H,41H2
InChIKey ARFKPWRWZIVMDD-UHFFFAOYSA-N
Mol Weight 598.5 g/mol
Molecular Formula C38H25Cl2NO2
Exact Mass 597.126234 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID PtCTmr2Mzd
Name 2,4-di(4-Chlorobenzoyl)-3,5,6-triphenylaniline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 597.126234447 u
Formula C38H25Cl2NO2
InChI InChI=1S/C38H25Cl2NO2/c39-29-20-16-27(17-21-29)37(42)34-31(24-10-4-1-5-11-24)33(26-14-8-3-9-15-26)36(41)35(32(34)25-12-6-2-7-13-25)38(43)28-18-22-30(40)23-19-28/h1-23H,41H2
InChIKey ARFKPWRWZIVMDD-UHFFFAOYSA-N
Molecular Weight 598.529 g/mol
SMILES C=1(N)C(=C(C(=C(C1C=1C=CC=CC1)C=1C=CC=CC1)C(C=1C=CC(=CC1)Cl)=O)C=1C=CC=CC1)C(C=1C=CC(=CC1)Cl)=O