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Bibenzyl, 4,4'-di-tert-butyl-

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

Bibenzyl, 4,4'-di-tert-butyl-
SpectraBase Compound ID BDhalc49a6w
InChI InChI=1S/C22H30/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,7-8H2,1-6H3
InChIKey WSPBJQKQBBNHSH-UHFFFAOYSA-N
Mol Weight 294.48 g/mol
Molecular Formula C22H30
Exact Mass 294.234751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DxZNww6tiOv
Name Bibenzyl, 4,4'-di-tert-butyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.234750966 u
Formula C22H30
InChI InChI=1S/C22H30/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,7-8H2,1-6H3
InChIKey WSPBJQKQBBNHSH-UHFFFAOYSA-N
Molecular Weight 294.482 g/mol
SMILES c1c(ccc(c1)CCc1ccc(cc1)C(C)(C)C)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964878