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4-(6H-Dibenzo[b,e]oxepin-11-ylidene)cyclohexa-2,5-dienone

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

4-(6H-Dibenzo[b,e]oxepin-11-ylidene)cyclohexa-2,5-dienone
SpectraBase Compound ID C1FEWlrNWi5
InChI InChI=1S/C20H14O2/c21-16-11-9-14(10-12-16)20-17-6-2-1-5-15(17)13-22-19-8-4-3-7-18(19)20/h1-12H,13H2
InChIKey KIQVQISDDZPMPN-UHFFFAOYSA-N
Mol Weight 286.33 g/mol
Molecular Formula C20H14O2
Exact Mass 286.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6QrFFWRH9YT
Name 4-(6H-Dibenzo[B,E]oxepin-11-ylidene)cyclohexa-2,5-dienone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.099379689 u
Formula C20H14O2
InChI InChI=1S/C20H14O2/c21-16-11-9-14(10-12-16)20-17-6-2-1-5-15(17)13-22-19-8-4-3-7-18(19)20/h1-12H,13H2
InChIKey KIQVQISDDZPMPN-UHFFFAOYSA-N
SMILES C1(=C2C=CC(C=C2)=O)C=2C(OCC=3C1=CC=CC3)=CC=CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865798