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O',O'',O'''-Triacetyl-1a-bromo-1-desoxy-D-glucopyranuronic acid ethylester
SpectraBase Compound ID KEFiRHPEbwI
InChI InChI=1S/C14H19BrO8/c1-6(16)5-9-10(21-7(2)17)12(14(19)20-4)23-13(15)11(9)22-8(3)18/h9-13H,5H2,1-4H3/t9-,10-,11+,12-,13-/m0/s1
InChIKey MAOAVXAAOVIZNW-WJTVCTBASA-N
Mol Weight 395.2 g/mol
Molecular Formula C14H19BrO8
Exact Mass 394.026331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6D94EYiCcN
Name O',O'',O'''-Triacetyl-1a-bromo-1-desoxy-D-glucopyranuronic acid ethylester
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 394.026330564 u
Formula C14H19BrO8
InChI InChI=1S/C14H19BrO8/c1-6(16)5-9-10(21-7(2)17)12(14(19)20-4)23-13(15)11(9)22-8(3)18/h9-13H,5H2,1-4H3/t9-,10-,11+,12-,13-/m0/s1
InChIKey MAOAVXAAOVIZNW-WJTVCTBASA-N
Molecular Weight 395.202 g/mol
Nominal Mass 394 u
Number of Peaks 86
SMILES C(=O)(C)O[C@@]1([C@@](C(OC)=O)(O[C@](Br)([C@](OC(C)=O)([C@]1(CC(C)=O)[H])[H])[H])[H])[H]
SPLASH splash10-0006-9800000000-5d82ac75099044f2f25a
Source File Reference DSHS_50_0175
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Wiley ID 50_175