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1-(2,4,6-Tribenzoxyphenyl)-1,3,5-hexanetrione
SpectraBase Compound ID Eo8NibdgUit
InChI InChI=1S/C33H30O6/c1-24(34)17-28(35)18-30(36)33-31(38-22-26-13-7-3-8-14-26)19-29(37-21-25-11-5-2-6-12-25)20-32(33)39-23-27-15-9-4-10-16-27/h2-16,19-20H,17-18,21-23H2,1H3
InChIKey NPOGPLLDTXGAOL-UHFFFAOYSA-N
Mol Weight 522.6 g/mol
Molecular Formula C33H30O6
Exact Mass 522.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwuSG9bPNfG
Name 1-(2,4,6-Tribenzoxyphenyl)-1,3,5-hexanetrione
CAS Registry Number 76631-02-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H30O6
InChI InChI=1S/C33H30O6/c1-24(34)17-28(35)18-30(36)33-31(38-22-26-13-7-3-8-14-26)19-29(37-21-25-11-5-2-6-12-25)20-32(33)39-23-27-15-9-4-10-16-27/h2-16,19-20H,17-18,21-23H2,1H3
InChIKey NPOGPLLDTXGAOL-UHFFFAOYSA-N
Molecular Weight 522.597 g/mol
SMILES c1(C(CC(CC(=O)C)=O)=O)c(cc(cc1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
SPLASH splash10-0006-9003000000-490f09a14613f9c627d6
Source of Spectrum J-46-2265-0
Synonyms 1-[2,4,6-tris(benzyloxy)phenyl]-1,3,5-hexanetrione
Wiley ID 1402313