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2,5-Dimethyl-3-phenyl-4-phenylethynyl-2,5-hexadiene

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

2,5-Dimethyl-3-phenyl-4-phenylethynyl-2,5-hexadiene
SpectraBase Compound ID 6d4a5fsOQ44
InChI InChI=1S/C22H22/c1-17(2)21(16-15-19-11-7-5-8-12-19)22(18(3)4)20-13-9-6-10-14-20/h5-14,21H,1H2,2-4H3
InChIKey RGGOYGQMDFJOLS-UHFFFAOYSA-N
Mol Weight 286.42 g/mol
Molecular Formula C22H22
Exact Mass 286.172151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KgEKXYTOnM1
Name 2,5-Dimethyl-3-phenyl-4-phenylethynyl-2,5-hexadiene
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(16-15-19-11-7-5-8-12-19)22(18(3)4)20-13-9-6-10-14-20/h5-14,21H,1H2,2-4H3
InChIKey RGGOYGQMDFJOLS-UHFFFAOYSA-N
Molecular Weight 286.418 g/mol
SMILES C(C(C(=C(C)C)C=1C=CC=CC1)C(=C)C)#CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.8435