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N-Phenyl-N-(3-(4-chlorophenyl)4-phenylisoxazol-5-yl)-amino acetic acid

View entire compound with spectra: 1 NMR, and 2 MS (GC)

N-Phenyl-N-(3-(4-chlorophenyl)4-phenylisoxazol-5-yl)-amino acetic acid
SpectraBase Compound ID 8wwVA26x7Yp
InChI InChI=1S/C23H17ClN2O3/c24-18-13-11-17(12-14-18)22-21(16-7-3-1-4-8-16)23(29-25-22)26(15-20(27)28)19-9-5-2-6-10-19/h1-14H,15H2,(H,27,28)
InChIKey AJAYRCOPOBXHGO-UHFFFAOYSA-N
Mol Weight 404.85 g/mol
Molecular Formula C23H17ClN2O3
Exact Mass 404.09277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IXfkwWPeWRT
Name N-Phenyl-N-(3-(4-chlorophenyl)4-phenylisoxazol-5-yl)-amino acetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.092770112 u
Formula C23H17ClN2O3
InChI InChI=1S/C23H17ClN2O3/c24-18-13-11-17(12-14-18)22-21(16-7-3-1-4-8-16)23(29-25-22)26(15-20(27)28)19-9-5-2-6-10-19/h1-14H,15H2,(H,27,28)
InChIKey AJAYRCOPOBXHGO-UHFFFAOYSA-N
Molecular Weight 404.853 g/mol
SMILES C(CN(C1=C(C(=NO1)C=1C=CC(=CC1)Cl)C=1C=CC=CC1)C=1C=CC=CC1)(=O)O