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3,3',5,5'-TETRA-TERT.-BUTYL-4,4'-DIPHENOQUINONE

View entire compound with spectra: 1 NMR, 1 FTIR, and 5 MS (GC)

3,3',5,5'-TETRA-TERT.-BUTYL-4,4'-DIPHENOQUINONE
SpectraBase Compound ID 5r9TVZEZvqh
InChI InChI=1S/C28H40O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16H,1-12H3
InChIKey GQIGHOCYKUBBOE-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C28H40O2
Exact Mass 408.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pCoXP6KLsi
Name 2,5-Cyclohexadien-1-one, 4-[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]-2,6-bis(1,1-dimethylethyl)-
Alternate Name(s) 3,3',5,5'-Tetra-tert-butyl-4,4'-biphenoquinone 3,5,3',5'-tetrakis(t-Butyl)-4,4'-diphenoquinone 2,2',6,6'-Tetra-tert-butyl-diphenoquinone 2,2',6,6'-Tetra-t-butyldiphenylquinone 2,2',6,6'-Tetra-tert-butylbiphenylquinone 3,5,3',5'-Tetra-tert-butyl-bicyclohexylidene-2,5,2',5'-tetraene-4,4'-dione 3,5-di-tert-butyl-4-(2,6-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one 2,2',6,6'-Tetra-tert-butyldiphenylquinone 2,6-ditert-butyl-4-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one 3,3',5,5'-Tetra-tert-butyl-4,4'-diphenoquinone 2,6-ditert-butyl-4-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one 2,6-ditert-butyl-4-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1-cyclohexa-2,5-dienone 2,6-ditert-butyl-4-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one 3,3',5,5'-Tetra-tert-butyl-4,4'-dibenzoquinone 2,6-ditert-butyl-4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one 3,3',5,5'-Tetra-tert-butyldiphenoquinone [Bi-2,5-cyclohexadien-1-ylidene]-4,4'-dione, 3,3',5,5'-tetra-tert-butyl- EINECS 219-527-4 NSC 14478 NSC 652596
CAS Registry Number 2455-14-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40O2
InChI InChI=1S/C28H40O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16H,1-12H3
InChIKey GQIGHOCYKUBBOE-UHFFFAOYSA-N
Molecular Weight 408.626 g/mol
SMILES C=1(C(C(C(C)(C)C)=CC(C1)=C1C=C(C(C)(C)C)C(C(=C1)C(C)(C)C)=O)=O)C(C)(C)C
SPLASH splash10-01ot-0009500000-cde2b46c06ba96d6c9e0
Source of Spectrum AT-41-7760-0
Wiley ID 854889