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1,5-di-O-acetyl-(1-deuterio)-2,3,4-tri-O-methyl-D-xylitol
SpectraBase Compound ID 3og5M5rgCW2
InChI InChI=1S/C12H22O7/c1-8(13)18-6-10(15-3)12(17-5)11(16-4)7-19-9(2)14/h10-12H,6-7H2,1-5H3/t10-,11+,12+/i6D/t6?,10-,11+,12+/m0/s1
InChIKey FLSUUXHBCLMUSN-XXALUKKWSA-N
Mol Weight 279.31 g/mol
Molecular Formula C12H21DO7
Exact Mass 279.14283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Gs9plNnPis
Name 1,5-di-O-acetyl-(1-deuterio)-2,3,4-tri-O-methyl-D-xylitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.142829787 u
Formula C12H21DO7
InChI InChI=1S/C12H22O7/c1-8(13)18-6-10(15-3)12(17-5)11(16-4)7-19-9(2)14/h10-12H,6-7H2,1-5H3/t10-,11+,12+/i6D/t6?,10-,11+,12+/m0/s1
InChIKey FLSUUXHBCLMUSN-XXALUKKWSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202300161
Molecular Weight 279.307 g/mol
Quality 528
SMILES C(OC(C)=O)([C@](OC)([C@@](OC)([C@](OC)(COC(C)=O)[H])[H])[H])[D]
SPLASH splash10-0zfu-9700000000-ac6d9442574b90a07e72
Source of Spectrum CBD-20-SM18-Table 2, Entry 6 (DOI: 10.1002/cbdv.202300161)
Wiley ID 1911344