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5''-Phenyl-1,1':4',1'':3'',1''':4''',1''''-quinquephenyl

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

5''-Phenyl-1,1':4',1'':3'',1''':4''',1''''-quinquephenyl
SpectraBase Compound ID IuK6rObq28y
InChI InChI=1S/C36H26/c1-4-10-27(11-5-1)30-16-20-32(21-17-30)35-24-34(29-14-8-3-9-15-29)25-36(26-35)33-22-18-31(19-23-33)28-12-6-2-7-13-28/h1-26H
InChIKey OZAVDXJDPMOMTC-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 Focgy8pOflV
Name 5''-Phenyl-1,1':4',1'':3'',1''':4''',1''''-quinquephenyl
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/c1-4-10-27(11-5-1)30-16-20-32(21-17-30)35-24-34(29-14-8-3-9-15-29)25-36(26-35)33-22-18-31(19-23-33)28-12-6-2-7-13-28/h1-26H
InChIKey OZAVDXJDPMOMTC-UHFFFAOYSA-N
Molecular Weight 458.604 g/mol
SMILES C=1C=C(C=CC1)C=1C=CC(C2=CC(C=3C=CC=CC3)=CC(C=3C=CC(C=4C=CC=CC4)=CC3)=C2)=CC1