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5,6-Dideoxy-1,2-O-isopropylidene-3-O-(2-bromo-4,5-methylenedioxybenzyl)-.alpha.,D-ribo-hex-5-enofuranoside
SpectraBase Compound ID 6LsWJywrDs5
InChI InChI=1S/C17H19BrO6/c1-4-11-14(15-16(22-11)24-17(2,3)23-15)19-7-9-5-12-13(6-10(9)18)21-8-20-12/h4-6,11,14-16H,1,7-8H2,2-3H3/t11-,14-,15-,16-/m1/s1
InChIKey GJBZEHVXLUZYMJ-RAEVTNRLSA-N
Mol Weight 399.24 g/mol
Molecular Formula C17H19BrO6
Exact Mass 398.036501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cODU3WLw7q
Name 5,6-Dideoxy-1,2-O-isopropylidene-3-O-(2-bromo-4,5-methylenedioxybenzyl)-.alpha.,D-ribo-hex-5-enofuranoside
Alternate Name(s) 5-[[(3aR,5R,6R,6aR)-5-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]-6-bromo-1,3-benzodioxole 5-[[(3aR,5R,6R,6aR)-5-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]-6-bromanyl-1,3-benzodioxole
Comments Less than 3 mono-isotopic peaks
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Formula C17H19BrO6
InChI InChI=1S/C17H19BrO6/c1-4-11-14(15-16(22-11)24-17(2,3)23-15)19-7-9-5-12-13(6-10(9)18)21-8-20-12/h4-6,11,14-16H,1,7-8H2,2-3H3/t11-,14-,15-,16-/m1/s1
InChIKey GJBZEHVXLUZYMJ-RAEVTNRLSA-N
Molecular Weight 399.237 g/mol
SMILES [C@@]12([C@@](OC(O2)(C)C)(O[C@@]([C@]1(OCc1c(cc2c(c1)OCO2)Br)[H])(C=C)[H])[H])[H]
SPLASH splash10-0udk-0009900000-e89d5bd7b3f2b7ba5df1
Source of Spectrum K-2001-3349-7
Wiley ID 1580212