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3-(p-Chlorophenyl)-2,5-diphenyl-4-p-tolyl-2,4-cyclopentadien-1-one

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(p-Chlorophenyl)-2,5-diphenyl-4-p-tolyl-2,4-cyclopentadien-1-one
SpectraBase Compound ID 3jMPrhMuAtM
InChI InChI=1S/C30H21ClO/c1-20-12-14-23(15-13-20)26-27(24-16-18-25(31)19-17-24)29(22-10-6-3-7-11-22)30(32)28(26)21-8-4-2-5-9-21/h2-19H,1H3
InChIKey ZIDXTXSTXUAQOB-UHFFFAOYSA-N
Mol Weight 432.95 g/mol
Molecular Formula C30H21ClO
Exact Mass 432.128093 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16mVeSXKyPZ
Name 3-(p-Chlorophenyl)-2,5-diphenyl-4-p-tolyl-2,4-cyclopentadien-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.128092995 u
Formula C30H21ClO
InChI InChI=1S/C30H21ClO/c1-20-12-14-23(15-13-20)26-27(24-16-18-25(31)19-17-24)29(22-10-6-3-7-11-22)30(32)28(26)21-8-4-2-5-9-21/h2-19H,1H3
InChIKey ZIDXTXSTXUAQOB-UHFFFAOYSA-N
Molecular Weight 432.950 g/mol
SMILES C=1C(=CC=CC1)C1=C(C(=C(C1=O)C=1C=CC=CC1)C=1C=CC(=CC1)Cl)C=1C=CC(=CC1)C