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3-[2-(4-Methoxyphenyl)ethanoylamino]-3-(3-nitrophenyl)propanoic acid

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3-[2-(4-Methoxyphenyl)ethanoylamino]-3-(3-nitrophenyl)propanoic acid
SpectraBase Compound ID JNeEQQkr6dB
InChI InChI=1S/C18H18N2O6/c1-26-15-7-5-12(6-8-15)9-17(21)19-16(11-18(22)23)13-3-2-4-14(10-13)20(24)25/h2-8,10,16H,9,11H2,1H3,(H,19,21)(H,22,23)
InChIKey FQYIHORYBQJLKG-UHFFFAOYSA-N
Mol Weight 358.35 g/mol
Molecular Formula C18H18N2O6
Exact Mass 358.116486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8jdw28pK2zT
Name 3-[2-(4-Methoxyphenyl)ethanoylamino]-3-(3-nitrophenyl)propanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.116486302 u
Formula C18H18N2O6
InChI InChI=1S/C18H18N2O6/c1-26-15-7-5-12(6-8-15)9-17(21)19-16(11-18(22)23)13-3-2-4-14(10-13)20(24)25/h2-8,10,16H,9,11H2,1H3,(H,19,21)(H,22,23)
InChIKey FQYIHORYBQJLKG-UHFFFAOYSA-N
Molecular Weight 358.350 g/mol
SMILES COC=1C=CC(CC(NC(CC(=O)O)C2=CC(N(=O)=O)=CC=C2)=O)=CC1