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2,6-Di-tert-butyl-4-methylene-2,5-cyclohexadienone

View entire compound with spectra: 1 FTIR, and 6 MS (GC)

2,6-Di-tert-butyl-4-methylene-2,5-cyclohexadienone
SpectraBase Compound ID 6tG9whm1CJ8
InChI InChI=1S/C15H22O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9H,1H2,2-7H3
InChIKey JJQCWPWUHZFKBN-UHFFFAOYSA-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 FBzEyZ3j48c
Name 2,6-di-Tert-butyl-4-methylene-2,5-cyclohexadienone
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/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9H,1H2,2-7H3
InChIKey JJQCWPWUHZFKBN-UHFFFAOYSA-N
Molecular Weight 218.340 g/mol
SMILES C1(C(C(C)(C)C)=CC(C=C1C(C)(C)C)=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920511