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1,2,3,4,5,6-Hexa[O-acetyl]-7-O-methyl-1-deuterioheptitol
SpectraBase Compound ID FWcxMs5iyaQ
InChI InChI=1S/C20H30O13/c1-10(21)28-9-17(30-12(3)23)19(32-14(5)25)20(33-15(6)26)18(31-13(4)24)16(8-27-7)29-11(2)22/h16-20H,8-9H2,1-7H3/i9D
InChIKey KPPNUWMBSURTBE-QOWOAITPSA-N
Mol Weight 479.45 g/mol
Molecular Formula C20H29DO13
Exact Mass 479.174918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLO4ReMu1ae
Name 1,2,3,4,5,6-Hexa[O-acetyl]-7-O-methyl-1-deuterioheptitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29DO13
InChI InChI=1S/C20H30O13/c1-10(21)28-9-17(30-12(3)23)19(32-14(5)25)20(33-15(6)26)18(31-13(4)24)16(8-27-7)29-11(2)22/h16-20H,8-9H2,1-7H3/i9D
InChIKey KPPNUWMBSURTBE-QOWOAITPSA-N
Molecular Weight 479.453 g/mol
SMILES C(C(C(C(OC(=O)C)COC)OC(=O)C)OC(=O)C)(C(C(OC(=O)C)[D])OC(=O)C)OC(=O)C
SPLASH splash10-0006-9400000000-ac99c1d4278c55e96a42
Source of Spectrum AU-35-49-7
Wiley ID 842387