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(3E,5E)-3,5-Dibenzylidene-tetrahydropyran-4-one

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

(3E,5E)-3,5-Dibenzylidene-tetrahydropyran-4-one
SpectraBase Compound ID 4ikYixpPOHe
InChI InChI=1S/C19H16O2/c20-19-17(11-15-7-3-1-4-8-15)13-21-14-18(19)12-16-9-5-2-6-10-16/h1-12H,13-14H2/b17-11+,18-12+
InChIKey BYUOXPBVJAPZNL-JYFOCSDGSA-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 8kUTIbXOS0i
Name (3E,5E)-3,5-Dibenzylidene-tetrahydropyran-4-one
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/c20-19-17(11-15-7-3-1-4-8-15)13-21-14-18(19)12-16-9-5-2-6-10-16/h1-12H,13-14H2/b17-11+,18-12+
InChIKey BYUOXPBVJAPZNL-JYFOCSDGSA-N
SMILES C1\C(C(\C(CO1)=C\C=1C=CC=CC1)=O)=C/C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.878683