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3,3''-(1,3-cyclohexadien-1,4-ylene)dibiphenyl
SpectraBase Compound ID KInnYDjsOdE
InChI InChI=1S/C30H24/c1-3-9-23(10-4-1)27-13-7-15-29(21-27)25-17-19-26(20-18-25)30-16-8-14-28(22-30)24-11-5-2-6-12-24/h1-17,19,21-22H,18,20H2
InChIKey ZLGLSOSSEWMOBW-UHFFFAOYSA-N
Mol Weight 384.52 g/mol
Molecular Formula C30H24
Exact Mass 384.187801 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2JHkOxDdkY1
Name 3,3''-(1,3-cyclohexadien-1,4-ylene)dibiphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.187800773 u
Formula C30H24
InChI InChI=1S/C30H24/c1-3-9-23(10-4-1)27-13-7-15-29(21-27)25-17-19-26(20-18-25)30-16-8-14-28(22-30)24-11-5-2-6-12-24/h1-17,19,21-22H,18,20H2
InChIKey ZLGLSOSSEWMOBW-UHFFFAOYSA-N
Molecular Weight 384.522 g/mol
SMILES C=1C(=CC=CC1)C1=CC=CC(C=2CCC(C3=CC(C=4C=CC=CC4)=CC=C3)=CC2)=C1
Spectrum/Structure Validation Score (Raman) 0.971789