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1-Tert-butyl-4-[2-(4-tert-butylphenyl)ethynyl]benzene

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

1-Tert-butyl-4-[2-(4-tert-butylphenyl)ethynyl]benzene
SpectraBase Compound ID CZcPWzzPb6b
InChI InChI=1S/C22H26/c1-21(2,3)19-13-9-17(10-14-19)7-8-18-11-15-20(16-12-18)22(4,5)6/h9-16H,1-6H3
InChIKey OLMMGNRXOABKEG-UHFFFAOYSA-N
Mol Weight 290.45 g/mol
Molecular Formula C22H26
Exact Mass 290.203451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I0QY8FotPw2
Name 1-Tert-butyl-4-[2-(4-tert-butylphenyl)ethynyl]benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.203450837 u
Formula C22H26
InChI InChI=1S/C22H26/c1-21(2,3)19-13-9-17(10-14-19)7-8-18-11-15-20(16-12-18)22(4,5)6/h9-16H,1-6H3
InChIKey OLMMGNRXOABKEG-UHFFFAOYSA-N
SMILES C(#CC=1C=CC(C(C)(C)C)=CC1)C1=CC=C(C(C)(C)C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890314