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(E,E)2-(3-Phenyl-allylidene)-cyclobutanone

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

(E,E)2-(3-Phenyl-allylidene)-cyclobutanone
SpectraBase Compound ID 8kfSyDZkGYY
InChI InChI=1S/C13H12O/c14-13-10-9-12(13)8-4-7-11-5-2-1-3-6-11/h1-8H,9-10H2/b7-4+,12-8+
InChIKey ZGBBCHPMZNTPMW-HCFISPQYSA-N
Mol Weight 184.24 g/mol
Molecular Formula C13H12O
Exact Mass 184.088815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G1GSWMMeqXI
Name (E,E)2-(3-Phenyl-allylidene)-cyclobutanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.088815005 u
Formula C13H12O
InChI InChI=1S/C13H12O/c14-13-10-9-12(13)8-4-7-11-5-2-1-3-6-11/h1-8H,9-10H2/b7-4+,12-8+
InChIKey ZGBBCHPMZNTPMW-HCFISPQYSA-N
Molecular Weight 184.238 g/mol
SMILES C1\C(=C/C=C/C2=CC=CC=C2)C(C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975397