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(2-(2,5-di-Tert-butylcyclohexa-2,4-dien-1-yl)ethyl)benzene

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

(2-(2,5-di-Tert-butylcyclohexa-2,4-dien-1-yl)ethyl)benzene
SpectraBase Compound ID I7x5e6F2WpS
InChI InChI=1S/C22H32/c1-21(2,3)19-14-15-20(22(4,5)6)18(16-19)13-12-17-10-8-7-9-11-17/h7-11,14-15,18H,12-13,16H2,1-6H3
InChIKey PLFIBBNYRBHICB-UHFFFAOYSA-N
Mol Weight 296.5 g/mol
Molecular Formula C22H32
Exact Mass 296.250401 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1B7eAyK3gWx
Name (2-(2,5-di-Tert-butylcyclohexa-2,4-dien-1-yl)ethyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.250401030 u
Formula C22H32
InChI InChI=1S/C22H32/c1-21(2,3)19-14-15-20(22(4,5)6)18(16-19)13-12-17-10-8-7-9-11-17/h7-11,14-15,18H,12-13,16H2,1-6H3
InChIKey PLFIBBNYRBHICB-UHFFFAOYSA-N
SMILES C1=C(CC(CCC2=CC=CC=C2)C(C(C)(C)C)=C1)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887444