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2,2,6-Trimethyl-1-(2-methyl-cyclobut-2-enyl)-hepta-4,6-dien-3-one

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

2,2,6-Trimethyl-1-(2-methyl-cyclobut-2-enyl)-hepta-4,6-dien-3-one
SpectraBase Compound ID 4zcxqAobL8X
InChI InChI=1S/C15H22O/c1-11(2)6-9-14(16)15(4,5)10-13-8-7-12(13)3/h6-7,9,13H,1,8,10H2,2-5H3/b9-6+
InChIKey DKKDMZZWALQHOK-RMKNXTFCSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KGi0C1Hx6J
Name 2,2,6-Trimethyl-1-(2-methyl-cyclobut-2-enyl)-hepta-4,6-dien-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.167065327 u
Formula C15H22O
InChI InChI=1S/C15H22O/c1-11(2)6-9-14(16)15(4,5)10-13-8-7-12(13)3/h6-7,9,13H,1,8,10H2,2-5H3/b9-6+
InChIKey DKKDMZZWALQHOK-RMKNXTFCSA-N
Molecular Weight 218.340 g/mol
SMILES C=1CC(C1C)CC(C)(C(\C=C\C(C)=C)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959429