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4,5-Diphenylocta-1,7-diene(meso)

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4,5-Diphenylocta-1,7-diene(meso)
SpectraBase Compound ID pAeFerT2xT
InChI InChI=1S/C20H22/c1-3-11-19(17-13-7-5-8-14-17)20(12-4-2)18-15-9-6-10-16-18/h3-10,13-16,19-20H,1-2,11-12H2
InChIKey ICHCZSRMJBBXSJ-UHFFFAOYSA-N
Mol Weight 262.4 g/mol
Molecular Formula C20H22
Exact Mass 262.172151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JMi9sOS3hVZ
Name 4,5-Diphenylocta-1,7-diene(meso)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.172150708 u
Formula C20H22
InChI InChI=1S/C20H22/c1-3-11-19(17-13-7-5-8-14-17)20(12-4-2)18-15-9-6-10-16-18/h3-10,13-16,19-20H,1-2,11-12H2
InChIKey ICHCZSRMJBBXSJ-UHFFFAOYSA-N
Molecular Weight 262.396 g/mol
SMILES C=CCC(C(C1=CC=CC=C1)CC=C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970636