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3-(4-Methoxyphenyl)-2,4,5-triphenyl-2,4-cyclopentadien-1-one

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

3-(4-Methoxyphenyl)-2,4,5-triphenyl-2,4-cyclopentadien-1-one
SpectraBase Compound ID CBWWYKzPRym
InChI InChI=1S/C30H22O2/c1-32-25-19-17-24(18-20-25)27-26(21-11-5-2-6-12-21)28(22-13-7-3-8-14-22)30(31)29(27)23-15-9-4-10-16-23/h2-20H,1H3
InChIKey MRIYNLXCRJKRPA-UHFFFAOYSA-N
Mol Weight 414.5 g/mol
Molecular Formula C30H22O2
Exact Mass 414.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A6qvUDwblH2
Name 3-(4-Methoxyphenyl)-2,4,5-triphenyl-2,4-cyclopentadien-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.161979946 u
Formula C30H22O2
InChI InChI=1S/C30H22O2/c1-32-25-19-17-24(18-20-25)27-26(21-11-5-2-6-12-21)28(22-13-7-3-8-14-22)30(31)29(27)23-15-9-4-10-16-23/h2-20H,1H3
InChIKey MRIYNLXCRJKRPA-UHFFFAOYSA-N
Molecular Weight 414.504 g/mol
SMILES C1=CC(=CC=C1)C1=C(C(=C(C1=O)C=1C=CC=CC1)C=1C=CC(=CC1)OC)C=1C=CC=CC1