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3-(p-Hexyloxyphenyl)-2,4,5-triphenylcyclopentadienone

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3-(p-Hexyloxyphenyl)-2,4,5-triphenylcyclopentadienone
SpectraBase Compound ID 8SFOTkjDqqa
InChI InChI=1S/C35H32O2/c1-2-3-4-14-25-37-30-23-21-29(22-24-30)32-31(26-15-8-5-9-16-26)33(27-17-10-6-11-18-27)35(36)34(32)28-19-12-7-13-20-28/h5-13,15-24H,2-4,14,25H2,1H3
InChIKey LOKNNRHSTVILNO-UHFFFAOYSA-N
Mol Weight 484.6 g/mol
Molecular Formula C35H32O2
Exact Mass 484.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FmAQc5m4Xw0
Name 3-(p-Hexyloxyphenyl)-2,4,5-triphenylcyclopentadienone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.240230268 u
Formula C35H32O2
InChI InChI=1S/C35H32O2/c1-2-3-4-14-25-37-30-23-21-29(22-24-30)32-31(26-15-8-5-9-16-26)33(27-17-10-6-11-18-27)35(36)34(32)28-19-12-7-13-20-28/h5-13,15-24H,2-4,14,25H2,1H3
InChIKey LOKNNRHSTVILNO-UHFFFAOYSA-N
Molecular Weight 484.639 g/mol
SMILES C(C)CCCCOC=1C=CC(C=2C(=C(C(=O)C2C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C2)=CC1