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4'-[5-(3-Biphenylyl)-1,5-cyclohexadien-1-yl]-m-terphenyl

View entire compound with spectra: 1 FTIR, and 1 Raman

4'-[5-(3-Biphenylyl)-1,5-cyclohexadien-1-yl]-m-terphenyl
SpectraBase Compound ID EEwNmMMJPmb
InChI InChI=1S/C36H28/c1-4-12-27(13-5-1)30-18-10-19-31(24-30)32-20-11-21-34(25-32)35-23-22-33(28-14-6-2-7-15-28)26-36(35)29-16-8-3-9-17-29/h1-10,12-19,21-26H,11,20H2
InChIKey NTEDYAPOLUJNQQ-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C36H28
Exact Mass 460.219101 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IDEZYbhpIHz
Name 4'-[5-(3-Biphenylyl)-1,5-cyclohexadien-1-yl]-m-terphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.219100902 u
Formula C36H28
InChI InChI=1S/C36H28/c1-4-12-27(13-5-1)30-18-10-19-31(24-30)32-20-11-21-34(25-32)35-23-22-33(28-14-6-2-7-15-28)26-36(35)29-16-8-3-9-17-29/h1-10,12-19,21-26H,11,20H2
InChIKey NTEDYAPOLUJNQQ-UHFFFAOYSA-N
Molecular Weight 460.620 g/mol
SMILES C=1C=CC(C2=C(C=CC(=C2)C=2C=CC=CC2)C2=CCCC(C=3C=CC=C(C4=CC=CC=C4)C3)=C2)=CC1
Spectrum/Structure Validation Score (Raman) 0.79293