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1,1':2',1'':3'',1''':2''',1''''-Quinquephenyl

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

1,1':2',1'':3'',1''':2''',1''''-Quinquephenyl
SpectraBase Compound ID iCWTYk959g
InChI InChI=1S/C30H22/c1-3-12-23(13-4-1)27-18-7-9-20-29(27)25-16-11-17-26(22-25)30-21-10-8-19-28(30)24-14-5-2-6-15-24/h1-22H
InChIKey PJHQBYBCLZCZNF-UHFFFAOYSA-N
Mol Weight 382.51 g/mol
Molecular Formula C30H22
Exact Mass 382.172151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMqYCL35oGX
Name 1,1':2',1'':3'',1''':2''',1''''-quinquephenyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.172150708 u
Formula C30H22
InChI InChI=1S/C30H22/c1-3-12-23(13-4-1)27-18-7-9-20-29(27)25-16-11-17-26(22-25)30-21-10-8-19-28(30)24-14-5-2-6-15-24/h1-22H
InChIKey PJHQBYBCLZCZNF-UHFFFAOYSA-N
Molecular Weight 382.506 g/mol
SMILES C1(=C(C=CC=C1)C1=CC(=CC=C1)C1=C(C=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1