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1,4,5-tri-O-acetyl-(1-deuterio)-2,3,6-tri-O-methyl-D-glucitol
SpectraBase Compound ID GubwFYUooi6
InChI InChI=1S/C15H26O9/c1-9(16)22-8-12(20-5)14(21-6)15(24-11(3)18)13(7-19-4)23-10(2)17/h12-15H,7-8H2,1-6H3/t12-,13+,14+,15+/m0/s1/i8D/t8?,12-,13+,14+,15+
InChIKey ATVQUEJOBOKGCC-CQBWLDRRSA-N
Mol Weight 351.37 g/mol
Molecular Formula C15H25DO9
Exact Mass 351.163959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3yYsYY1PhRZ
Name 1,4,5-tri-O-acetyl-(1-deuterio)-2,3,6-tri-O-methyl-D-glucitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.163959154 u
Formula C15H25DO9
InChI InChI=1S/C15H26O9/c1-9(16)22-8-12(20-5)14(21-6)15(24-11(3)18)13(7-19-4)23-10(2)17/h12-15H,7-8H2,1-6H3/t12-,13+,14+,15+/m0/s1/i8D/t8?,12-,13+,14+,15+
InChIKey ATVQUEJOBOKGCC-CQBWLDRRSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202300161
Molecular Weight 351.370 g/mol
Quality 404
SMILES C(OC(C)=O)([C@@]([C@]([C@@]([C@](OC(=O)C)(COC)[H])(OC(C)=O)[H])(OC)[H])(OC)[H])[D]
SPLASH splash10-00l7-7910000000-0669e4c1cfe917da89a3
Source of Spectrum CBD-20-SM18-Table 2, Entry 15 (DOI: 10.1002/cbdv.202300161)
Wiley ID 1911337