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3-O-Acetyl-2,6-anhydro-1,4,5-tri-O-methylhexitol
SpectraBase Compound ID IEOs046egdP
InChI InChI=1S/C11H20O6/c1-7(12)17-11-9(5-13-2)16-6-8(14-3)10(11)15-4/h8-11H,5-6H2,1-4H3
InChIKey BPVFAUHKDUHQHN-UHFFFAOYSA-N
Mol Weight 248.27 g/mol
Molecular Formula C11H20O6
Exact Mass 248.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPUOkrYsSJL
Name 3-O-Acetyl-2,6-anhydro-1,4,5-tri-O-methylhexitol
CAS Registry Number 81847-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O6
InChI InChI=1S/C11H20O6/c1-7(12)17-11-9(5-13-2)16-6-8(14-3)10(11)15-4/h8-11H,5-6H2,1-4H3
InChIKey BPVFAUHKDUHQHN-UHFFFAOYSA-N
Molecular Weight 248.275 g/mol
SMILES C1(C(C(OC)COC1COC)OC)OC(=O)C
SPLASH splash10-006w-9610000000-86f0ca564f4e6b6b3887
Source of Spectrum QB-20-1157-1
Synonyms 1,5-Anhydro-4-O-acetyl-2,3,6-tri-O-methyl-D-galactitol 1,5-Anhydro-4-O-acetyl-2,3,6-tri-O-methyl-D-glucitol 1,5-Anhydro-4-O-acetyl-2,3,6-tri-O-methyl-D-mannitol Acetic acid [4,5-dimethoxy-2-(methoxymethyl)-3-oxanyl] ester [4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate [4,5-dimethoxy-2-(methoxymethyl)tetrahydropyran-3-yl] acetate [4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] ethanoate
Wiley ID 860422