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1,2-Di(4-tert-butylphenyl)ethane-1,2-dione

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

1,2-Di(4-tert-butylphenyl)ethane-1,2-dione
SpectraBase Compound ID Bo71xPMdF9D
InChI InChI=1S/C22H26O2/c1-21(2,3)17-11-7-15(8-12-17)19(23)20(24)16-9-13-18(14-10-16)22(4,5)6/h7-14H,1-6H3
InChIKey YCAUHIWHXSSOGQ-UHFFFAOYSA-N
Mol Weight 322.45 g/mol
Molecular Formula C22H26O2
Exact Mass 322.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JvXnGaw1fBv
Name 1,2-di(4-Tert-butylphenyl)ethane-1,2-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.193280075 u
Formula C22H26O2
InChI InChI=1S/C22H26O2/c1-21(2,3)17-11-7-15(8-12-17)19(23)20(24)16-9-13-18(14-10-16)22(4,5)6/h7-14H,1-6H3
InChIKey YCAUHIWHXSSOGQ-UHFFFAOYSA-N
Molecular Weight 322.448 g/mol
SMILES C(C(C=1C=CC(C(C)(C)C)=CC1)=O)(C=1C=CC(C(C)(C)C)=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973777