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6-Methyl-2-phenyl-3-(ethenyl)cyclohexa-2,5-dien-1,4-dione

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

6-Methyl-2-phenyl-3-(ethenyl)cyclohexa-2,5-dien-1,4-dione
SpectraBase Compound ID 2i0GhrKjuDj
InChI InChI=1S/C15H12O2/c1-3-12-13(16)9-10(2)15(17)14(12)11-7-5-4-6-8-11/h3-9H,1H2,2H3
InChIKey YGRSMSIIGLZHHG-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C15H12O2
Exact Mass 224.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EHfLFfubIie
Name 6-Methyl-2-phenyl-3-(ethenyl)cyclohexa-2,5-dien-1,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.083729624 u
Formula C15H12O2
InChI InChI=1S/C15H12O2/c1-3-12-13(16)9-10(2)15(17)14(12)11-7-5-4-6-8-11/h3-9H,1H2,2H3
InChIKey YGRSMSIIGLZHHG-UHFFFAOYSA-N
Molecular Weight 224.259 g/mol
SMILES C1(=C(C(=O)C=C(C1=O)C)C=C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.8895