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1,4,5-tri-O-acetyl-2,4-di-O-methylxylitol
SpectraBase Compound ID Bong0aZ07BY
InChI InChI=1S/C13H22O9/c1-8(14)20-6-11(18-4)12(17)13(19-5,22-10(3)16)7-21-9(2)15/h11-12,17H,6-7H2,1-5H3/t11-,12+,13+/m0/s1
InChIKey QGRHNOATCITBLK-YNEHKIRRSA-N
Mol Weight 322.31 g/mol
Molecular Formula C13H22O9
Exact Mass 322.126382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVY9n4ygVPI
Name 1,4,5-tri-O-acetyl-2,4-di-O-methylxylitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.126382279 u
Formula C13H22O9
InChI InChI=1S/C13H22O9/c1-8(14)20-6-11(18-4)12(17)13(19-5,22-10(3)16)7-21-9(2)15/h11-12,17H,6-7H2,1-5H3/t11-,12+,13+/m0/s1
InChIKey QGRHNOATCITBLK-YNEHKIRRSA-N
Instrument Name TRIO-2 VG
Ionization Type EI
Literature Reference DOI 10.1021/np010332x
Molecular Weight 322.310 g/mol
Quality 16
SMILES O[C@]([C@](COC(C)=O)(OC)[H])([C@](COC(C)=O)(OC)OC(=O)C)[H]
SPLASH splash10-0006-9000000000-91e564ca9ecf49ef899a
Source of Spectrum G4-65-156-156-3 (DOI: 10.1021/np010332x)
Wiley ID 1894540