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t-Amyl-t-butyl-p-benzoquinone

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

t-Amyl-t-butyl-p-benzoquinone
SpectraBase Compound ID LP0CBGrQPYn
InChI InChI=1S/C15H22O2/c1-7-15(5,6)13-11(17)9-8-10(16)12(13)14(2,3)4/h8-9H,7H2,1-6H3
InChIKey UIOBQTHHJMMMLV-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B1q9lMnrd0w
Name T-Amyl-T-butyl-p-benzoquinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-7-15(5,6)13-11(17)9-8-10(16)12(13)14(2,3)4/h8-9H,7H2,1-6H3
InChIKey UIOBQTHHJMMMLV-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
Nominal Mass 234 u
SMILES C1(=C(C(=O)C=CC1=O)C(CC)(C)C)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922305