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2-(4'-Methylphenyl)-1.3-diphenylpropane-1,3-dione

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-(4'-Methylphenyl)-1.3-diphenylpropane-1,3-dione
SpectraBase Compound ID BULvsG3XKet
InChI InChI=1S/C22H18O2/c1-16-12-14-17(15-13-16)20(21(23)18-8-4-2-5-9-18)22(24)19-10-6-3-7-11-19/h2-15,20H,1H3
InChIKey JVEYMJZFHIAKNQ-UHFFFAOYSA-N
Mol Weight 314.38 g/mol
Molecular Formula C22H18O2
Exact Mass 314.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 13lp6l4v5FF
Name 2-(4'-Methylphenyl)-1.3-diphenylpropane-1,3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.130679818 u
Formula C22H18O2
InChI InChI=1S/C22H18O2/c1-16-12-14-17(15-13-16)20(21(23)18-8-4-2-5-9-18)22(24)19-10-6-3-7-11-19/h2-15,20H,1H3
InChIKey JVEYMJZFHIAKNQ-UHFFFAOYSA-N
SMILES C(C(C(=O)C=1C=CC=CC1)C=1C=CC(=CC1)C)(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892141