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1,3,4,6-Tetra-O-acetyl-2,5-di-O-benzoylhexitol
SpectraBase Compound ID LveE0CWqdIM
InChI InChI=1S/C28H30O12/c1-17(29)35-15-23(39-27(33)21-11-7-5-8-12-21)25(37-19(3)31)26(38-20(4)32)24(16-36-18(2)30)40-28(34)22-13-9-6-10-14-22/h5-14,23-26H,15-16H2,1-4H3
InChIKey AJAKPXSQOSJCFG-UHFFFAOYSA-N
Mol Weight 558.54 g/mol
Molecular Formula C28H30O12
Exact Mass 558.173726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gSe2Wsjqgf
Name 1,3,4,6-Tetra-O-acetyl-2,5-di-O-benzoylhexitol
CAS Registry Number 74741-51-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O12
InChI InChI=1S/C28H30O12/c1-17(29)35-15-23(39-27(33)21-11-7-5-8-12-21)25(37-19(3)31)26(38-20(4)32)24(16-36-18(2)30)40-28(34)22-13-9-6-10-14-22/h5-14,23-26H,15-16H2,1-4H3
InChIKey AJAKPXSQOSJCFG-UHFFFAOYSA-N
Molecular Weight 558.536 g/mol
SMILES C(OCC(OC(=O)c1ccccc1)C(OC(C)=O)C(OC(C)=O)C(OC(=O)c1ccccc1)COC(C)=O)(C)=O
SPLASH splash10-0a4l-4910000000-4b2278c28fec16164184
Source of Spectrum HE-1982-0-0
Synonyms (1,3,4,6-tetraacetyloxy-5-benzoyloxyhexan-2-yl) benzoate benzoic acid (1,3,4,6-tetraacetyloxy-5-benzoyloxyhexan-2-yl) ester Hexitol, 1,3,4,6-tetraacetate 2,5-dibenzoate [2,3,5-triacetoxy-1-(acetoxymethyl)-4-benzoyloxy-pentyl] benzoate [1,3,4,6-tetraacetyloxy-5-(phenylcarbonyloxy)hexan-2-yl] benzoate
Wiley ID 1406553