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3-(4-Fluorophenyl)-3-[(4-nitrobenzoyl)amino]propanoic acid

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

3-(4-Fluorophenyl)-3-[(4-nitrobenzoyl)amino]propanoic acid
SpectraBase Compound ID 7orRI5QubAT
InChI InChI=1S/C16H13FN2O5/c17-12-5-1-10(2-6-12)14(9-15(20)21)18-16(22)11-3-7-13(8-4-11)19(23)24/h1-8,14H,9H2,(H,18,22)(H,20,21)
InChIKey AUVURFGUBOYCIC-UHFFFAOYSA-N
Mol Weight 332.29 g/mol
Molecular Formula C16H13FN2O5
Exact Mass 332.08085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDvCQPynv74
Name 3-(4-Fluorophenyl)-3-[(4-nitrobenzoyl)amino]propanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.080849685 u
Formula C16H13FN2O5
InChI InChI=1S/C16H13FN2O5/c17-12-5-1-10(2-6-12)14(9-15(20)21)18-16(22)11-3-7-13(8-4-11)19(23)24/h1-8,14H,9H2,(H,18,22)(H,20,21)
InChIKey AUVURFGUBOYCIC-UHFFFAOYSA-N
Molecular Weight 332.287 g/mol
SMILES C(C1=CC=C(C=C1)N(=O)=O)(NC(CC(=O)O)C1=CC=C(C=C1)F)=O