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3-(4-chlorophenyl)-4-{[(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}butanoic acid

View entire compound with spectra: 2 NMR

3-(4-chlorophenyl)-4-{[(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}butanoic acid
SpectraBase Compound ID 3UxZ1DivcfL
InChI InChI=1S/C23H22ClNO6/c1-13-18-8-7-17(30-2)10-20(18)31-23(29)19(13)11-21(26)25-12-15(9-22(27)28)14-3-5-16(24)6-4-14/h3-8,10,15H,9,11-12H2,1-2H3,(H,25,26)(H,27,28)
InChIKey YITWIOHXWNPEPP-UHFFFAOYSA-N
Mol Weight 443.88 g/mol
Molecular Formula C23H22ClNO6
Exact Mass 443.113565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzEftCI3tBm
Name 3-(4-Chlorophenyl)-4-{[(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}butanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.113565126 u
Formula C23H22ClNO6
InChI InChI=1S/C23H22ClNO6/c1-13-18-8-7-17(30-2)10-20(18)31-23(29)19(13)11-21(26)25-12-15(9-22(27)28)14-3-5-16(24)6-4-14/h3-8,10,15H,9,11-12H2,1-2H3,(H,25,26)(H,27,28)
InChIKey YITWIOHXWNPEPP-UHFFFAOYSA-N
Molecular Weight 443.883 g/mol
SMILES N(C(CC=1C(OC=2C(C1C)=CC=C(OC)C2)=O)=O)CC(CC(=O)O)C1=CC=C(C=C1)Cl