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erythro-Dimethyl 2-bromo-3-benzoyloxyglutarate
SpectraBase Compound ID Fd9FkJs66hi
InChI InChI=1S/C14H15BrO6/c1-19-11(16)8-10(12(15)14(18)20-2)21-13(17)9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3/t10-,12-/m0/s1
InChIKey MIGDFLJLBBZJJJ-JQWIXIFHSA-N
Mol Weight 359.17 g/mol
Molecular Formula C14H15BrO6
Exact Mass 358.005201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ed8Edt5TCX8
Name erythro-Dimethyl 2-bromo-3-benzoyloxyglutarate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15BrO6
InChI InChI=1S/C14H15BrO6/c1-19-11(16)8-10(12(15)14(18)20-2)21-13(17)9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3/t10-,12-/m0/s1
InChIKey MIGDFLJLBBZJJJ-JQWIXIFHSA-N
Instrument Name HP 5890/5970
Ionization Type EI
Literature Reference DOI 10.1021/np050378g
Molecular Weight 359.172 g/mol
SMILES COC([C@]([C@](CC(=O)OC)(OC(c1ccccc1)=O)[H])(Br)[H])=O
SPLASH splash10-0a4i-0920000000-c97c5ae39be18a423db4
Source of Spectrum G4-69-SM13-7
Wiley ID 1873937