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1,7-Diphenyl-1,6-heptadiene-3,5-dione

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

1,7-Diphenyl-1,6-heptadiene-3,5-dione
SpectraBase Compound ID 4XMJ3kGMX4Z
InChI InChI=1S/C19H16O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-14H,15H2/b13-11+,14-12+
InChIKey UXLWOYFDJVFCBR-PHEQNACWSA-N
Mol Weight 276.33 g/mol
Molecular Formula C19H16O2
Exact Mass 276.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID xWmNyjifWy
Name 1,7-Diphenyl-1,6-heptadiene-3,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.115029753 u
Formula C19H16O2
InChI InChI=1S/C19H16O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-14H,15H2/b13-11+,14-12+
InChIKey UXLWOYFDJVFCBR-PHEQNACWSA-N
SMILES C(\C=C\C=1C=CC=CC1)(CC(\C=C\C=1C=CC=CC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943128