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1-(2,4,6-Tribenzoxyphenyl)-1,3,5,7-octanetetraone

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1-(2,4,6-Tribenzoxyphenyl)-1,3,5,7-octanetetraone
SpectraBase Compound ID 5vp6TRNsBvN
InChI InChI=1S/C35H32O7/c1-25(36)17-29(37)18-30(38)19-32(39)35-33(41-23-27-13-7-3-8-14-27)20-31(40-22-26-11-5-2-6-12-26)21-34(35)42-24-28-15-9-4-10-16-28/h2-16,20-21H,17-19,22-24H2,1H3
InChIKey GTPUKKRAWSKPHX-UHFFFAOYSA-N
Mol Weight 564.6 g/mol
Molecular Formula C35H32O7
Exact Mass 564.214803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlPKXwwJ4xX
Name 1-(2,4,6-Tribenzoxyphenyl)-1,3,5,7-octanetetraone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 564.214803363 u
Formula C35H32O7
InChI InChI=1S/C35H32O7/c1-25(36)17-29(37)18-30(38)19-32(39)35-33(41-23-27-13-7-3-8-14-27)20-31(40-22-26-11-5-2-6-12-26)21-34(35)42-24-28-15-9-4-10-16-28/h2-16,20-21H,17-19,22-24H2,1H3
InChIKey GTPUKKRAWSKPHX-UHFFFAOYSA-N
Molecular Weight 564.634 g/mol
SMILES C=1(C(CC(CC(CC(=O)C)=O)=O)=O)C(=CC(=CC1OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC=1C=CC=CC1