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Methyl 1-Bromo-2,3,4-tri-O Acetyl-.alpha.D-galacturonatopyranose
SpectraBase Compound ID 3fo8lD5c7TE
InChI InChI=1S/C13H17BrO9/c1-5(15)20-8-9(21-6(2)16)11(13(18)19-4)23-12(14)10(8)22-7(3)17/h8-12H,1-4H3/t8-,9+,10+,11-,12-/m0/s1
InChIKey GWTNLHGTLIBHHZ-KNZXXDILSA-N
Mol Weight 397.17 g/mol
Molecular Formula C13H17BrO9
Exact Mass 396.005595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ba2QOK0HqE6
Name Methyl 1-Bromo-2,3,4-tri-O Acetyl-.alpha.D-galacturonatopyranose
Alternate Name(s) 3,4,5-triacetyloxy-6-bromo-2-oxanecarboxylic acid methyl ester Methyl 3,4,5-triacetyloxy-6-bromooxane-2-carboxylate Methyl 3,4,5-triacetoxy-6-bromo-tetrahydropyran-2-carboxylate Methyl 3,4,5-triacetyloxy-6-bromanyl-oxane-2-carboxylate
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Formula C13H17BrO9
InChI InChI=1S/C13H17BrO9/c1-5(15)20-8-9(21-6(2)16)11(13(18)19-4)23-12(14)10(8)22-7(3)17/h8-12H,1-4H3/t8-,9+,10+,11-,12-/m0/s1
InChIKey GWTNLHGTLIBHHZ-KNZXXDILSA-N
Molecular Weight 397.174 g/mol
SMILES [C@@]1([C@@]([C@](OC(=O)C)([C@]([C@](O1)(Br)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])(C(=O)OC)[H]
SPLASH splash10-0a4i-0910000000-64de53c78a3db218bad6
Source of Spectrum E1-41-95-21
Wiley ID 1551820