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4,5-Dideoxy-4,5-dibromo-2,3,6-tris( O-acetyl)-D-myo-inositol
SpectraBase Compound ID IzkUL55asFu
InChI InChI=1S/C12H16Br2O7/c1-4(15)19-10-7(13)8(14)11(20-5(2)16)12(9(10)18)21-6(3)17/h7-12,18H,1-3H3/t7-,8-,9-,10+,11+,12-/m0/s1
InChIKey KPMZBPJSJQGYRI-WUFAPUTGSA-N
Mol Weight 432.06 g/mol
Molecular Formula C12H16Br2O7
Exact Mass 429.926279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4Uum56qvdK
Name 4,5-Dideoxy-4,5-dibromo-2,3,6-tris( O-acetyl)-D-myo-inositol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16Br2O7
InChI InChI=1S/C12H16Br2O7/c1-4(15)19-10-7(13)8(14)11(20-5(2)16)12(9(10)18)21-6(3)17/h7-12,18H,1-3H3/t7-,8-,9-,10+,11+,12-/m0/s1
InChIKey KPMZBPJSJQGYRI-WUFAPUTGSA-N
Molecular Weight 432.061 g/mol
SMILES O[C@]1([C@@]([C@@](Br)([C@@]([C@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(Br)[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-0006-8890000000-e613cac4367496aa1b3e
Source of Spectrum K1-2003-1968-45
Wiley ID 1521026