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1,4,5-tri-O-acetyl-2,4-di-O-methylquinovitol
SpectraBase Compound ID BRyQaf7x1b4
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-XQQFMLRXSA-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 8jBlbYPMIoE
Name 1,4,5-tri-O-acetyl-2,4-di-O-methylquinovitol
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-XQQFMLRXSA-N
Instrument Name TRIO-2 VG
Ionization Type EI
Literature Reference DOI 10.1021/np0106236
Molecular Weight 322.310 g/mol
Quality 33
SMILES O[C@]([C@](COC(C)=O)(OC)[H])([C@](COC(C)=O)(OC(C)=O)OC)[H]
SPLASH splash10-014l-8900000000-dc752c67d72c8885af28
Source of Spectrum G4-65-864-864-2 (DOI: 10.1021/np0106236)
Wiley ID 1894547