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3-[(2,4-Dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid

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

3-[(2,4-Dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
SpectraBase Compound ID 8coWsAAlN4s
InChI InChI=1S/C17H15Cl2NO4/c1-24-12-5-2-10(3-6-12)15(9-16(21)22)20-17(23)13-7-4-11(18)8-14(13)19/h2-8,15H,9H2,1H3,(H,20,23)(H,21,22)
InChIKey QHPPNJXAAAPIOO-UHFFFAOYSA-N
Mol Weight 368.22 g/mol
Molecular Formula C17H15Cl2NO4
Exact Mass 367.037813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6FGDSQkYEMj
Name 3-[(2,4-Dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.037813363 u
Formula C17H15Cl2NO4
InChI InChI=1S/C17H15Cl2NO4/c1-24-12-5-2-10(3-6-12)15(9-16(21)22)20-17(23)13-7-4-11(18)8-14(13)19/h2-8,15H,9H2,1H3,(H,20,23)(H,21,22)
InChIKey QHPPNJXAAAPIOO-UHFFFAOYSA-N
Molecular Weight 368.216 g/mol
SMILES C=1(C(NC(CC(=O)O)C2=CC=C(C=C2)OC)=O)C(=CC(=CC1)Cl)Cl