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p-Sexiphenyl

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

p-Sexiphenyl
SpectraBase Compound ID 109hi33cDis
InChI InChI=1S/C36H26/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-19-23-35(24-20-33)36-25-21-34(22-26-36)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-26H
InChIKey ZEMDSNVUUOCIED-UHFFFAOYSA-N
Mol Weight 458.6 g/mol
Molecular Formula C36H26
Exact Mass 458.203451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DyisEo7lVwo
Name p-Sexiphenyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.203450837 u
Formula C36H26
InChI InChI=1S/C36H26/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-19-23-35(24-20-33)36-25-21-34(22-26-36)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-26H
InChIKey ZEMDSNVUUOCIED-UHFFFAOYSA-N
Molecular Weight 458.604 g/mol
SMILES C=1C=C(C=CC1)C1=CC=C(C=2C=CC(C3=CC=C(C=4C=CC(C5=CC=CC=C5)=CC4)C=C3)=CC2)C=C1