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(-)-(allyl 5-bromo-5-deoxy-2,3-O-isopropylidene-.beta.-D-allofuranosid)uronic acid
SpectraBase Compound ID 4X8zFQpLtsf
InChI InChI=1S/C12H17BrO6/c1-4-5-16-11-9-8(18-12(2,3)19-9)7(17-11)6(13)10(14)15/h4,6-9,11H,1,5H2,2-3H3,(H,14,15)
InChIKey JQVWLIAXKYNSKY-UHFFFAOYSA-N
Mol Weight 337.17 g/mol
Molecular Formula C12H17BrO6
Exact Mass 336.020851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ET3RC9mAS4g
Name (-)-(allyl 5-bromo-5-deoxy-2,3-O-isopropylidene-.beta.-D-allofuranosid)uronic acid
Alternate Name(s) Allyl 5-bromo-5-deoxy-2,3-O-(1-methylethylidene)hexofuranosiduronic acid
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Formula C12H17BrO6
InChI InChI=1S/C12H17BrO6/c1-4-5-16-11-9-8(18-12(2,3)19-9)7(17-11)6(13)10(14)15/h4,6-9,11H,1,5H2,2-3H3,(H,14,15)
InChIKey JQVWLIAXKYNSKY-UHFFFAOYSA-N
Molecular Weight 337.166 g/mol
SMILES OC(C(C1C2C(C(OCC=C)O1)OC(O2)(C)C)Br)=O
SPLASH splash10-0ab9-9421000000-663c7fca0bc9e2054951
Source of Spectrum F-46-7027-31
Wiley ID 1332004