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p-[(alpha-Ethoxy-p-nitrophenacyl)amino]benzoic acid

View entire compound with spectra: 2 NMR, and 1 FTIR

p-[(alpha-Ethoxy-p-nitrophenacyl)amino]benzoic acid
SpectraBase Compound ID 1CLEEVIbUfY
InChI InChI=1S/C17H16N2O6/c1-2-25-16(18-13-7-3-12(4-8-13)17(21)22)15(20)11-5-9-14(10-6-11)19(23)24/h3-10,16,18H,2H2,1H3,(H,21,22)
InChIKey KSCRYIFRLAPNKT-UHFFFAOYSA-N
Mol Weight 344.32 g/mol
Molecular Formula C17H16N2O6
Exact Mass 344.100836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KAAIjPlI61
Name p-[(alpha-Ethoxy-p-nitrophenacyl)amino]benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.100836237 u
Formula C17H16N2O6
InChI InChI=1S/C17H16N2O6/c1-2-25-16(18-13-7-3-12(4-8-13)17(21)22)15(20)11-5-9-14(10-6-11)19(23)24/h3-10,16,18H,2H2,1H3,(H,21,22)
InChIKey KSCRYIFRLAPNKT-UHFFFAOYSA-N
Molecular Weight 344.323 g/mol
SMILES N(C(C(C1=CC=C(C=C1)N(=O)=O)=O)OCC)C1=CC=C(C(O)=O)C=C1