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1,4-Di-(4'-methylphenyl)buta-1,3-diene

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

1,4-Di-(4'-methylphenyl)buta-1,3-diene
SpectraBase Compound ID L2oIqencyhI
InChI InChI=1S/C18H18/c1-15-7-11-17(12-8-15)5-3-4-6-18-13-9-16(2)10-14-18/h3-14H,1-2H3/b5-3+,6-4+
InChIKey KGLYHHCCIBZMLN-GGWOSOGESA-N
Mol Weight 234.34 g/mol
Molecular Formula C18H18
Exact Mass 234.140851 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6rIrDfKUIwh
Name 1,4-di-(4'-Methylphenyl)buta-1,3-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.140850580 u
Formula C18H18
InChI InChI=1S/C18H18/c1-15-7-11-17(12-8-15)5-3-4-6-18-13-9-16(2)10-14-18/h3-14H,1-2H3/b5-3+,6-4+
InChIKey KGLYHHCCIBZMLN-GGWOSOGESA-N
Molecular Weight 234.342 g/mol
SMILES CC1=CC=C(\C=C\C=C\C2=CC=C(C)C=C2)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861495