For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 31ccQytivw
Name 2,6-di-tert-Butyl-4-methylene-2,5-cyclohexadienone
CAS Registry Number 2607-52-5
Classification Metabolite of butylated hydroxytoluene
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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
Ionization Type Electron Ionization (EI)
Molecular Weight 218.340 g/mol
Nominal Mass 218 u
Quality 982
Retention Index 1582
SMILES C1(C(C(C)(C)C)=CC(C=C1C(C)(C)C)=C)=O
SPLASH splash10-03di-2920000000-41a07fc16e432bb31b25
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,6-Bis(1,1-dimethylethyl)-4-methylene-2,5-cyclohexadien-1-one 4-methylidene-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one
Technique GC/MS
Wiley ID DD2024_006371