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phenylalanine, N-[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-

View entire compound with spectra: 2 NMR

phenylalanine, N-[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-
SpectraBase Compound ID DRps3HfSLDL
InChI InChI=1S/C20H17ClN2O4/c1-12-17(18(23-27-12)14-9-5-6-10-15(14)21)19(24)22-16(20(25)26)11-13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H,22,24)(H,25,26)
InChIKey AEKMURZKNYJGAS-UHFFFAOYSA-N
Mol Weight 384.82 g/mol
Molecular Formula C20H17ClN2O4
Exact Mass 384.087685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FtYYT6ljyGQ
Name Phenylalanine, N-[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.087684731 u
Formula C20H17ClN2O4
InChI InChI=1S/C20H17ClN2O4/c1-12-17(18(23-27-12)14-9-5-6-10-15(14)21)19(24)22-16(20(25)26)11-13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H,22,24)(H,25,26)
InChIKey AEKMURZKNYJGAS-UHFFFAOYSA-N
Molecular Weight 384.819 g/mol
SMILES N(C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1)=O)C(C(=O)O)CC1=CC=CC=C1