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5,5'-(1,4-Phenylene)-bis-(2,2-dimethylpent-4-en-3-one)

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

5,5'-(1,4-Phenylene)-bis-(2,2-dimethylpent-4-en-3-one)
SpectraBase Compound ID IG50lHfsPO4
InChI InChI=1S/C20H26O2/c1-19(2,3)17(21)13-11-15-7-9-16(10-8-15)12-14-18(22)20(4,5)6/h7-14H,1-6H3/b13-11+,14-12+
InChIKey PVAIXUQSPUNOSS-PHEQNACWSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ELUscgDOe0V
Name 5,5'-(1,4-Phenylene)-bis-(2,2-dimethylpent-4-en-3-one)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.193280075 u
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-19(2,3)17(21)13-11-15-7-9-16(10-8-15)12-14-18(22)20(4,5)6/h7-14H,1-6H3/b13-11+,14-12+
InChIKey PVAIXUQSPUNOSS-PHEQNACWSA-N
SMILES C(=O)(\C=C\C=1C=CC(\C=C\C(C(C)(C)C)=O)=CC1)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956232