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1,1':2',1'':4'',1''':4''',1'''':2'''',1'''''-sexiphenyl

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

1,1':2',1'':4'',1''':4''',1'''':2'''',1'''''-sexiphenyl
SpectraBase Compound ID Lle4qMtpdZe
InChI InChI=1S/C36H26/c1-3-11-29(12-4-1)33-15-7-9-17-35(33)31-23-19-27(20-24-31)28-21-25-32(26-22-28)36-18-10-8-16-34(36)30-13-5-2-6-14-30/h1-26H
InChIKey KYUHSCIWQFYRSJ-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 5pvmO4fl1aO
Name 1,1':2',1'':4'',1''':4''',1'''':2'''',1'''''-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/c1-3-11-29(12-4-1)33-15-7-9-17-35(33)31-23-19-27(20-24-31)28-21-25-32(26-22-28)36-18-10-8-16-34(36)30-13-5-2-6-14-30/h1-26H
InChIKey KYUHSCIWQFYRSJ-UHFFFAOYSA-N
Molecular Weight 458.604 g/mol
SMILES C=1C=C(C(C2=CC=CC=C2)=CC1)C=1C=CC(C=2C=CC(C=3C(C=4C=CC=CC4)=CC=CC3)=CC2)=CC1