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2-(mandeloylamino)acetic acid ethyl ester
SpectraBase Compound ID 7NZ9Q1FRTmL
InChI InChI=1S/C12H15NO4/c1-2-17-10(14)8-13-12(16)11(15)9-6-4-3-5-7-9/h3-7,11,15H,2,8H2,1H3,(H,13,16)
InChIKey KPMIPZOIEHFEMH-UHFFFAOYSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lr1r5yuU4FT
Name 2-(mandeloylamino)acetic acid ethyl ester
CAS Registry Number 112681-25-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-2-17-10(14)8-13-12(16)11(15)9-6-4-3-5-7-9/h3-7,11,15H,2,8H2,1H3,(H,13,16)
InChIKey KPMIPZOIEHFEMH-UHFFFAOYSA-N
Molecular Weight 237.255 g/mol
SMILES OC(C(=O)NCC(=O)OCC)c1ccccc1
SPLASH splash10-0a7i-9700000000-9312e3049b23709ec889
Synonyms 2-[(2-hydroxy-1-oxo-2-phenylethyl)amino]acetic acid ethyl ester 2-[(2-hydroxy-2-phenylacetyl)amino]-acetic acid, ethyl ester Ethyl ([hydroxy(phenyl)acetyl]amino)acetate Ethyl 2-[(2-hydroxy-2-phenyl-acetyl)amino]acetate Ethyl 2-[(2-oxidanyl-2-phenyl-ethanoyl)amino]ethanoate
Wiley ID 1477811