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Methyl (+-)-(methyl-2-O-propargyl-3-bromo-3,5-dideoxy-.alpha.,L-arabinohexafuranosid)uronate
SpectraBase Compound ID 48afpkH0OdU
InChI InChI=1S/C11H15BrO5/c1-4-5-16-10-9(12)7(6-8(13)14-2)17-11(10)15-3/h1,7,9-11H,5-6H2,2-3H3/t7-,9-,10+,11+/m0/s1
InChIKey SSFHHJCVFHOFCH-CPOMMVLXSA-N
Mol Weight 307.14 g/mol
Molecular Formula C11H15BrO5
Exact Mass 306.010287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3T8wBtfOrk
Name Methyl (+-)-(methyl-2-O-propargyl-3-bromo-3,5-dideoxy-.alpha.,L-arabinohexafuranosid)uronate
Alternate Name(s) Dimethyl 3-bromo-3,5-dideoxy-2-O-(2-propynyl)-L-arabino-hexofuranosiduronate 2-[(2S,3S,4S,5R)-3-bromo-5-methoxy-4-prop-2-ynoxy-2-oxolanyl]acetic acid methyl ester Methyl 2-[(2S,3S,4S,5R)-3-bromo-5-methoxy-4-prop-2-ynoxyoxolan-2-yl]acetate Methyl 2-[(2S,3S,4S,5R)-3-bromo-5-methoxy-4-prop-2-ynoxy-tetrahydrofuran-2-yl]acetate Methyl 2-[(2S,3S,4S,5R)-3-bromanyl-5-methoxy-4-prop-2-ynoxy-oxolan-2-yl]ethanoate
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Formula C11H15BrO5
InChI InChI=1S/C11H15BrO5/c1-4-5-16-10-9(12)7(6-8(13)14-2)17-11(10)15-3/h1,7,9-11H,5-6H2,2-3H3/t7-,9-,10+,11+/m0/s1
InChIKey SSFHHJCVFHOFCH-CPOMMVLXSA-N
Molecular Weight 307.140 g/mol
SMILES [C@@]1([C@]([C@](CC(=O)OC)(O[C@]1(OC)[H])[H])(Br)[H])(OCC#C)[H]
SPLASH splash10-014i-0900000000-3e3004e702f1bc7f7bee
Source of Spectrum F-52-634-8
Wiley ID 794784