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bis(p-Cumenyl)butadiyne

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

bis(p-Cumenyl)butadiyne
SpectraBase Compound ID 1o4IC7OhVCF
InChI InChI=1S/C22H22/c1-17(2)21-13-9-19(10-14-21)7-5-6-8-20-11-15-22(16-12-20)18(3)4/h9-18H,1-4H3
InChIKey MUGZTQIJYXSPIJ-UHFFFAOYSA-N
Mol Weight 286.42 g/mol
Molecular Formula C22H22
Exact Mass 286.172151 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID F0ZyCxqDkud
Name bis(p-Cumenyl)butadiyne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.172150708 u
Formula C22H22
InChI InChI=1S/C22H22/c1-17(2)21-13-9-19(10-14-21)7-5-6-8-20-11-15-22(16-12-20)18(3)4/h9-18H,1-4H3
InChIKey MUGZTQIJYXSPIJ-UHFFFAOYSA-N
Molecular Weight 286.418 g/mol
SMILES C=1C(=CC=C(C1)C(C)C)C#CC#CC=1C=CC(=CC1)C(C)C
Spectrum/Structure Validation Score (Raman) 0.919878