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(2S,3S)-2-bromo-3-ethylbutanedioic acid
SpectraBase Compound ID 5UbQYH7b41I
InChI InChI=1S/C6H9BrO4/c1-2-3(5(8)9)4(7)6(10)11/h3-4H,2H2,1H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1
InChIKey NIVBIDUHGWCPRM-DMTCNVIQSA-N
Mol Weight 225.04 g/mol
Molecular Formula C6H9BrO4
Exact Mass 223.968422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgNU3pPM2mE
Name (2S,3S)-2-bromo-3-ethylbutanedioic acid
CAS Registry Number 116063-90-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9BrO4
InChI InChI=1S/C6H9BrO4/c1-2-3(5(8)9)4(7)6(10)11/h3-4H,2H2,1H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1
InChIKey NIVBIDUHGWCPRM-DMTCNVIQSA-N
Molecular Weight 225.038 g/mol
SMILES OC([C@]([C@](C(=O)O)(CC)[H])(Br)[H])=O
SPLASH splash10-0002-9100000000-6d196aa07c60fa8ba16c
Source of Spectrum F-43-5907-0
Synonyms (2S,3S)-2-bromo-3-ethyl-butanedioic acid (2S,3S)-2-bromanyl-3-ethyl-butanedioic acid
Wiley ID 1224367