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1,2,3,5,6-Penta-O-benzoyl-4-deoxyhexitol
SpectraBase Compound ID 5vaoPzG92Gd
InChI InChI=1S/C41H34O10/c42-37(29-16-6-1-7-17-29)47-27-34(49-39(44)31-20-10-3-11-21-31)26-35(50-40(45)32-22-12-4-13-23-32)36(51-41(46)33-24-14-5-15-25-33)28-48-38(43)30-18-8-2-9-19-30/h1-25,34-36H,26-28H2
InChIKey GQIVSFAENJXTTA-UHFFFAOYSA-N
Mol Weight 686.7 g/mol
Molecular Formula C41H34O10
Exact Mass 686.215197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6x2xATd7xe0
Name 1,2,3,5,6-Penta-O-benzoyl-4-deoxyhexitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H34O10
InChI InChI=1S/C41H34O10/c42-37(29-16-6-1-7-17-29)47-27-34(49-39(44)31-20-10-3-11-21-31)26-35(50-40(45)32-22-12-4-13-23-32)36(51-41(46)33-24-14-5-15-25-33)28-48-38(43)30-18-8-2-9-19-30/h1-25,34-36H,26-28H2
InChIKey GQIVSFAENJXTTA-UHFFFAOYSA-N
Molecular Weight 686.713 g/mol
SMILES c1cccc(c1)C(OCC(OC(=O)c1ccccc1)CC(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)COC(=O)c1ccccc1)=O
SPLASH splash10-0a4i-4900000000-0299efaa2bf8f4ebb940
Source of Spectrum NP-16-2243-0
Synonyms 1,2,4,5,6-Penta-O-benzoyl-3-deoxy-d-mannitol 2,4,5,6-tetrabenzoyloxyhexyl benzoate 2,4,5,6-tetrakis(phenylcarbonyloxy)hexyl benzoate
Wiley ID 1113288