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1-(4-Phenylphenyl)hexane-2,5-dione

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

1-(4-Phenylphenyl)hexane-2,5-dione
SpectraBase Compound ID 3d3MVdk7TP9
InChI InChI=1S/C18H18O2/c1-14(19)7-12-18(20)13-15-8-10-17(11-9-15)16-5-3-2-4-6-16/h2-6,8-11H,7,12-13H2,1H3
InChIKey QHEDGKYSBOOYLX-UHFFFAOYSA-N
Mol Weight 266.34 g/mol
Molecular Formula C18H18O2
Exact Mass 266.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8bVwNPHcpR9
Name 1-(4-Phenylphenyl)hexane-2,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.130679818 u
Formula C18H18O2
InChI InChI=1S/C18H18O2/c1-14(19)7-12-18(20)13-15-8-10-17(11-9-15)16-5-3-2-4-6-16/h2-6,8-11H,7,12-13H2,1H3
InChIKey QHEDGKYSBOOYLX-UHFFFAOYSA-N
Molecular Weight 266.340 g/mol
SMILES C(C(CCC(C)=O)=O)C=1C=CC(=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90346