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D-Allitol, 6-deoxy-3-C-methyl-2-O-methyl-, triacetate
SpectraBase Compound ID HjDpx1NpaF7
InChI InChI=1S/C14H24O8/c1-8(21-10(3)16)13(22-11(4)17)14(5,18)12(19-6)7-20-9(2)15/h8,12-13,18H,7H2,1-6H3
InChIKey WEDWQSSRSVSZDT-UHFFFAOYSA-N
Mol Weight 320.34 g/mol
Molecular Formula C14H24O8
Exact Mass 320.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0t00ytj8kq
Name D-Allitol, 6-deoxy-3-C-methyl-2-O-methyl-, triacetate
CAS Registry Number 56687-69-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O8
InChI InChI=1S/C14H24O8/c1-8(21-10(3)16)13(22-11(4)17)14(5,18)12(19-6)7-20-9(2)15/h8,12-13,18H,7H2,1-6H3
InChIKey WEDWQSSRSVSZDT-UHFFFAOYSA-N
Molecular Weight 320.338 g/mol
SMILES OC(C(C(OC(C)=O)C)OC(C)=O)(C(COC(C)=O)OC)C
SPLASH splash10-0g4i-0891000000-f2de2b3f66a1d2761ef9
Source of Spectrum T-67-2929-0
Synonyms 1,4,5-Tri-O-acetyl-6-deoxy-3-c-methyl-2-O-methylhexitol (4,5-diacetoxy-3-hydroxy-2-methoxy-3-methyl-hexyl) acetate (4,5-diacetyloxy-2-methoxy-3-methyl-3-oxidanyl-hexyl) ethanoate (4,5-diacetyloxy-3-hydroxy-2-methoxy-3-methylhexyl) acetate Acetic acid (4,5-diacetoxy-3-hydroxy-2-methoxy-3-methyl-hexyl) ester Acetic acid (4,5-diacetyloxy-3-hydroxy-2-methoxy-3-methylhexyl) ester
Wiley ID 1319781