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1,7-Diphenyl-1,7-heptanedione

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1,7-Diphenyl-1,7-heptanedione
SpectraBase Compound ID 71TYoizK08l
InChI InChI=1S/C19H20O2/c20-18(16-10-4-1-5-11-16)14-8-3-9-15-19(21)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKey BEOXSPKFNAHKED-UHFFFAOYSA-N
Mol Weight 280.37 g/mol
Molecular Formula C19H20O2
Exact Mass 280.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2yJuBodQ193
Name 1,7-Diphenyl-1,7-heptanedione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.146329882 u
Formula C19H20O2
InChI InChI=1S/C19H20O2/c20-18(16-10-4-1-5-11-16)14-8-3-9-15-19(21)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKey BEOXSPKFNAHKED-UHFFFAOYSA-N
SMILES C1=C(C=CC=C1)C(CCCCCC(=O)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906125