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threo-Dimethyl 2-bromo-3-hydroxyglutarate
SpectraBase Compound ID Ih1HjBnTvmK
InChI InChI=1S/C7H11BrO5/c1-12-5(10)3-4(9)6(8)7(11)13-2/h4,6,9H,3H2,1-2H3/t4-,6+/m1/s1
InChIKey FNICPRKTTQNAKA-XINAWCOVSA-N
Mol Weight 255.06 g/mol
Molecular Formula C7H11BrO5
Exact Mass 253.978986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FpN1izPbVCw
Name threo-Dimethyl 2-bromo-3-hydroxyglutarate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11BrO5
InChI InChI=1S/C7H11BrO5/c1-12-5(10)3-4(9)6(8)7(11)13-2/h4,6,9H,3H2,1-2H3/t4-,6+/m1/s1
InChIKey FNICPRKTTQNAKA-XINAWCOVSA-N
Instrument Name HP 5890/5970
Ionization Type EI
Literature Reference DOI 10.1021/np050378g
Molecular Weight 255.064 g/mol
SMILES O[C@@]([C@@](C(OC)=O)(Br)[H])(CC(=O)OC)[H]
SPLASH splash10-0a4i-0790000000-a285ba67b8d1ac37510b
Source of Spectrum G4-69-SM13-6
Wiley ID 1873934