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3-(2-Phenylethanoylamino)-3-(4-propoxyphenyl)propanoic acid

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

3-(2-Phenylethanoylamino)-3-(4-propoxyphenyl)propanoic acid
SpectraBase Compound ID 8sdhbfuSi0Y
InChI InChI=1S/C20H23NO4/c1-2-12-25-17-10-8-16(9-11-17)18(14-20(23)24)21-19(22)13-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,21,22)(H,23,24)
InChIKey AVOYRGCOYDNSKD-UHFFFAOYSA-N
Mol Weight 341.41 g/mol
Molecular Formula C20H23NO4
Exact Mass 341.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5URcidL2iGr
Name 3-(2-Phenylethanoylamino)-3-(4-propoxyphenyl)propanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.162708221 u
Formula C20H23NO4
InChI InChI=1S/C20H23NO4/c1-2-12-25-17-10-8-16(9-11-17)18(14-20(23)24)21-19(22)13-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,21,22)(H,23,24)
InChIKey AVOYRGCOYDNSKD-UHFFFAOYSA-N
Molecular Weight 341.407 g/mol
SMILES C(C(NC(=O)CC=1C=CC=CC1)C=1C=CC(=CC1)OCCC)C(=O)O