| 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 |
