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.alpha.-(3,6-Di-tert-butyl-1-azulenyl)-3,5-di-ert-butyl-1,4-benzoquinone methide
SpectraBase Compound ID Ctk5Kq5dwIk
InChI InChI=1S/C33H44O/c1-30(2,3)23-13-15-24-22(20-26(31(4,5)6)25(24)16-14-23)17-21-18-27(32(7,8)9)29(34)28(19-21)33(10,11)12/h13-20H,1-12H3
InChIKey ISKMRAGKXPLFFL-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C33H44O
Exact Mass 456.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FX1qC9LLCKf
Name .alpha.-(3,6-Di-tert-butyl-1-azulenyl)-3,5-di-ert-butyl-1,4-benzoquinone methide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H44O
InChI InChI=1S/C33H44O/c1-30(2,3)23-13-15-24-22(20-26(31(4,5)6)25(24)16-14-23)17-21-18-27(32(7,8)9)29(34)28(19-21)33(10,11)12/h13-20H,1-12H3
InChIKey ISKMRAGKXPLFFL-UHFFFAOYSA-N
Molecular Weight 456.714 g/mol
SMILES c12c(cc(c2ccc(cc1)C(C)(C)C)C=C1C=C(C(C)(C)C)C(C(=C1)C(C)(C)C)=O)C(C)(C)C
SPLASH splash10-0a4i-1000900000-68e12696213dde840fd3
Source of Spectrum J-62-2429-11
Synonyms 2,6-Ditert-butyl-4-[(3,6-ditert-butyl-1-azulenyl)methylidene]-1-cyclohexa-2,5-dienone 2,6-Ditert-butyl-4-[(3,6-ditert-butylazulen-1-yl)methylidene]cyclohexa-2,5-dien-1-one
Wiley ID 1389563