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1-Phenyl-non-2-ene-1,8-dione

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

1-Phenyl-non-2-ene-1,8-dione
SpectraBase Compound ID 260YahjmdSY
InChI InChI=1S/C15H18O2/c1-13(16)9-5-2-3-8-12-15(17)14-10-6-4-7-11-14/h4,6-8,10-12H,2-3,5,9H2,1H3/b12-8+
InChIKey MULWICBINQCZMA-XYOKQWHBSA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 76tqFwVFQU
Name 1-Phenyl-non-2-ene-1,8-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.130679818 u
Formula C15H18O2
InChI InChI=1S/C15H18O2/c1-13(16)9-5-2-3-8-12-15(17)14-10-6-4-7-11-14/h4,6-8,10-12H,2-3,5,9H2,1H3/b12-8+
InChIKey MULWICBINQCZMA-XYOKQWHBSA-N
Molecular Weight 230.307 g/mol
SMILES C1(=CC=CC=C1)C(\C=C\CCCCC(C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965585