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Benzenepropanoic acid, .alpha.-[1-(benzoylamino)ethyl]-.beta.-hydroxy-, ethyl ester, [.alpha.R*(S*),.beta.R*]-(.+-.)-
SpectraBase Compound ID 2jZX7FUdEQA
InChI InChI=1S/C20H23NO4/c1-3-25-20(24)17(18(22)15-10-6-4-7-11-15)14(2)21-19(23)16-12-8-5-9-13-16/h4-14,17-18,22H,3H2,1-2H3,(H,21,23)/t14?,17-,18+/m1/s1
InChIKey SEZLJSZUZYRKFL-QIWLAUOQSA-N
Mol Weight 341.41 g/mol
Molecular Formula C20H23NO4
Exact Mass 341.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KiWAlnOWuup
Name Benzenepropanoic acid, .alpha.-[1-(benzoylamino)ethyl]-.beta.-hydroxy-, ethyl ester, [.alpha.R*(S*),.beta.R*]-(.+-.)-
CAS Registry Number 121054-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO4
InChI InChI=1S/C20H23NO4/c1-3-25-20(24)17(18(22)15-10-6-4-7-11-15)14(2)21-19(23)16-12-8-5-9-13-16/h4-14,17-18,22H,3H2,1-2H3,(H,21,23)/t14?,17-,18+/m1/s1
InChIKey SEZLJSZUZYRKFL-QIWLAUOQSA-N
Molecular Weight 341.407 g/mol
SMILES N(C(=O)c1ccccc1)C([C@]([C@](c1ccccc1)(O)[H])(C(=O)OCC)[H])C
SPLASH splash10-0a4i-7900000000-5e1c8e39835870a05137
Source of Spectrum H-71-1833-12
Synonyms Ethyl (2R)-3-(benzoylamino)-2-[(R)-hydroxy(phenyl)methyl]butanoate Ethyl 3-(benzoylamino)-2-(1'-hydroxybenzyl)butanoate
Wiley ID 1336002