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6-(2,5-di-tert-butylcyclohexa-2,4-dien-1-yl)hexan-2-one
SpectraBase Compound ID IjgllnPX46v
InChI InChI=1S/C20H34O/c1-15(21)10-8-9-11-16-14-17(19(2,3)4)12-13-18(16)20(5,6)7/h12-13,16H,8-11,14H2,1-7H3
InChIKey ATNSKMMZARLNAJ-UHFFFAOYSA-N
Mol Weight 290.5 g/mol
Molecular Formula C20H34O
Exact Mass 290.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8GWE61ccja
Name 6-(2,5-di-tert-butylcyclohexa-2,4-dien-1-yl)hexan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O
InChI InChI=1S/C20H34O/c1-15(21)10-8-9-11-16-14-17(19(2,3)4)12-13-18(16)20(5,6)7/h12-13,16H,8-11,14H2,1-7H3
InChIKey ATNSKMMZARLNAJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo101229u
Molecular Weight 290.491 g/mol
SMILES C=1C=C(C(CC1C(C)(C)C)CCCCC(C)=O)C(C)(C)C
SPLASH splash10-0a4i-9000000000-dd28618c9da5deee260c
Source of Spectrum J-75-6049-7
Synonyms 6-(2,5-ditert-butyl-1-cyclohexa-2,4-dienyl)-2-hexanone
Wiley ID 1746660