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6-Bromo-3,6-dideoxy-3-C-(methoxycarbonylmethyl)-1,2-O-isopropylidene-.alpha.-D-allofuranose
SpectraBase Compound ID KAMKwwHxH1P
InChI InChI=1S/C12H19BrO6/c1-12(2)18-10-6(4-8(15)16-3)9(7(14)5-13)17-11(10)19-12/h6-7,9-11,14H,4-5H2,1-3H3/t6-,7-,9+,10-,11-/m1/s1
InChIKey MCJPQLSVCYMYQD-BTEFKNAISA-N
Mol Weight 339.18 g/mol
Molecular Formula C12H19BrO6
Exact Mass 338.036501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFUF7mD4Cyb
Name 6-Bromo-3,6-dideoxy-3-C-(methoxycarbonylmethyl)-1,2-O-isopropylidene-.alpha.-D-allofuranose
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Formula C12H19BrO6
InChI InChI=1S/C12H19BrO6/c1-12(2)18-10-6(4-8(15)16-3)9(7(14)5-13)17-11(10)19-12/h6-7,9-11,14H,4-5H2,1-3H3/t6-,7-,9+,10-,11-/m1/s1
InChIKey MCJPQLSVCYMYQD-BTEFKNAISA-N
Molecular Weight 339.182 g/mol
SMILES O[C@@]([C@]1(O[C@]2([C@@]([C@@]1(CC(=O)OC)[H])(OC(O2)(C)C)[H])[H])[H])(CBr)[H]
SPLASH splash10-053r-9400000000-799e9155972e06ec29bb
Source of Spectrum F-47-7669-13
Synonyms Methyl 2-[(3aR,5S,6R,6aR)-5-[(1S)-2-bromo-1-hydroxyethyl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl]acetate
Wiley ID 1333378