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3-Methyl-1,5-diphenylpenta-2,4-dien-1-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 5 MS (GC)

3-Methyl-1,5-diphenylpenta-2,4-dien-1-one
SpectraBase Compound ID DCaHwzERadP
InChI InChI=1S/C18H16O/c1-15(12-13-16-8-4-2-5-9-16)14-18(19)17-10-6-3-7-11-17/h2-14H,1H3/b13-12+,15-14+
InChIKey LIKRHSJOQWCUHN-SQIWNDBBSA-N
Mol Weight 248.32 g/mol
Molecular Formula C18H16O
Exact Mass 248.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1PPj04Jqad8
Name 3-Methyl-1,5-diphenylpenta-2,4-dien-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.120115134 u
Formula C18H16O
InChI InChI=1S/C18H16O/c1-15(12-13-16-8-4-2-5-9-16)14-18(19)17-10-6-3-7-11-17/h2-14H,1H3/b13-12+,15-14+
InChIKey LIKRHSJOQWCUHN-SQIWNDBBSA-N
Molecular Weight 248.325 g/mol
SMILES C1=CC=CC(=C1)\C=C\C(=C\C(C=1C=CC=CC1)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975563