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1,1,4,4-Tetraphenyl-butane

View entire compound with spectra: 2 NMR, 1 FTIR, and 3 MS (GC)

1,1,4,4-Tetraphenyl-butane
SpectraBase Compound ID 9bf3sARGmyo
InChI InChI=1S/C28H26/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2
InChIKey RYRPAXUFKAJVQC-UHFFFAOYSA-N
Mol Weight 362.52 g/mol
Molecular Formula C28H26
Exact Mass 362.203451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JNOjiRCF0LR
Name 1,1,4,4-Tetraphenylbutane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.203450837 u
Formula C28H26
InChI InChI=1S/C28H26/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2
InChIKey RYRPAXUFKAJVQC-UHFFFAOYSA-N
Molecular Weight 362.516 g/mol
SMILES C=1C(=CC=CC1)C(C=1C=CC=CC1)CCC(C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978508