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2-[Benzoyl(isopropyl)amino]-3-phenyl-propanoic acid

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

2-[Benzoyl(isopropyl)amino]-3-phenyl-propanoic acid
SpectraBase Compound ID EJgU5dgL9yA
InChI InChI=1S/C19H21NO3/c1-14(2)20(18(21)16-11-7-4-8-12-16)17(19(22)23)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3,(H,22,23)
InChIKey KKVPTQHZFHPVGD-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BHdyEQIicsU
Name 2-[Benzoyl(isopropyl)amino]-3-phenyl-propanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.152143537 u
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-14(2)20(18(21)16-11-7-4-8-12-16)17(19(22)23)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3,(H,22,23)
InChIKey KKVPTQHZFHPVGD-UHFFFAOYSA-N
Molecular Weight 311.381 g/mol
SMILES C(N(C(C(=O)O)CC=1C=CC=CC1)C(C)C)(=O)C1=CC=CC=C1