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1,6-Diphenyl-2,5-hexanedione

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

1,6-Diphenyl-2,5-hexanedione
SpectraBase Compound ID 4lfTtQLSp17
InChI InChI=1S/C18H18O2/c19-17(13-15-7-3-1-4-8-15)11-12-18(20)14-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey KJBBVMGDVBCQDQ-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 9FaZXiMrBbV
Name 1,6-Diphenyl-2,5-hexanedione
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/c19-17(13-15-7-3-1-4-8-15)11-12-18(20)14-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey KJBBVMGDVBCQDQ-UHFFFAOYSA-N
Molecular Weight 266.340 g/mol
SMILES C(=O)(CC=1C=CC=CC1)CCC(=O)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915958