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(2S,3R)-3-benzyl-4-ethoxy-2-hydroxy-3-methyl-4-oxo-butanoic acid
SpectraBase Compound ID Kj6btutddTx
InChI InChI=1S/C14H18O5/c1-3-19-13(18)14(2,11(15)12(16)17)9-10-7-5-4-6-8-10/h4-8,11,15H,3,9H2,1-2H3,(H,16,17)/t11-,14-/m1/s1
InChIKey DMIIWAQLUPROKV-BXUZGUMPSA-N
Mol Weight 266.29 g/mol
Molecular Formula C14H18O5
Exact Mass 266.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ubQjqvPYVv
Name (2S,3R)-3-benzyl-4-ethoxy-2-hydroxy-3-methyl-4-oxo-butanoic acid
CAS Registry Number 111832-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O5
InChI InChI=1S/C14H18O5/c1-3-19-13(18)14(2,11(15)12(16)17)9-10-7-5-4-6-8-10/h4-8,11,15H,3,9H2,1-2H3,(H,16,17)/t11-,14-/m1/s1
InChIKey DMIIWAQLUPROKV-BXUZGUMPSA-N
Molecular Weight 266.293 g/mol
SMILES OC([C@]([C@](C(=O)OCC)(Cc1ccccc1)C)(O)[H])=O
SPLASH splash10-0006-9700000000-c9033da71cf0d5417094
Source of Spectrum H-70-296-9
Synonyms (2S,3R)-3-benzyl-4-ethoxy-2-hydroxy-4-keto-3-methyl-butyric acid (2S,3R)-4-ethoxy-2-hydroxy-3-methyl-4-oxo-3-(phenylmethyl)butanoic acid (2S,3R)-4-ethoxy-3-methyl-2-oxidanyl-4-oxidanylidene-3-(phenylmethyl)butanoic acid
Wiley ID 1269862