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1-(p-Methylphenyl)-4-phenylbutane-1,4-dione

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

1-(p-Methylphenyl)-4-phenylbutane-1,4-dione
SpectraBase Compound ID 9CgvHAEDhze
InChI InChI=1S/C17H16O2/c1-13-7-9-15(10-8-13)17(19)12-11-16(18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKey GMQOUSHYFLWQNH-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C17H16O2
Exact Mass 252.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6NiIc75EJGv
Name 1-(p-Methylphenyl)-4-phenylbutane-1,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.115029753 u
Formula C17H16O2
InChI InChI=1S/C17H16O2/c1-13-7-9-15(10-8-13)17(19)12-11-16(18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKey GMQOUSHYFLWQNH-UHFFFAOYSA-N
Molecular Weight 252.313 g/mol
SMILES C(C=1C=CC(=CC1)C)(CCC(=O)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875093