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3-Anilino-2-benzyl-3-oxo-propanoic acid

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3-Anilino-2-benzyl-3-oxo-propanoic acid
SpectraBase Compound ID CxJrqnoqVR2
InChI InChI=1S/C16H15NO3/c18-15(17-13-9-5-2-6-10-13)14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)(H,19,20)
InChIKey XQMIUJSYBIPEFX-UHFFFAOYSA-N
Mol Weight 269.3 g/mol
Molecular Formula C16H15NO3
Exact Mass 269.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXRvrzvNFA6
Name Benzylmalonic acid-monoanilide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO3
InChI InChI=1S/C16H15NO3/c18-15(17-13-9-5-2-6-10-13)14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)(H,19,20)
InChIKey XQMIUJSYBIPEFX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19781110613
Molecular Weight 269.300 g/mol
SMILES OC(C(C(=O)Nc1ccccc1)Cc1ccccc1)=O
SPLASH splash10-0006-9200000000-54f10ffb7d1c7986c035
Source of Spectrum K-111-2178-11
Synonyms 2-Benzyl-3-oxo-3-(phenylamino)propanoic acid
Wiley ID 1794267