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3-(3,4-Dimethoxyphenyl)-3-[2-(2,5-dimethylphenoxy)ethanoylamino]propanoic acid

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3-(3,4-Dimethoxyphenyl)-3-[2-(2,5-dimethylphenoxy)ethanoylamino]propanoic acid
SpectraBase Compound ID 8lw8vnfRES7
InChI InChI=1S/C21H25NO6/c1-13-5-6-14(2)18(9-13)28-12-20(23)22-16(11-21(24)25)15-7-8-17(26-3)19(10-15)27-4/h5-10,16H,11-12H2,1-4H3,(H,22,23)(H,24,25)
InChIKey AVBYSDWWDHLWOY-UHFFFAOYSA-N
Mol Weight 387.43 g/mol
Molecular Formula C21H25NO6
Exact Mass 387.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 460fllUd4Hu
Name 3-(3,4-Dimethoxyphenyl)-3-[2-(2,5-dimethylphenoxy)ethanoylamino]propanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.168187523 u
Formula C21H25NO6
InChI InChI=1S/C21H25NO6/c1-13-5-6-14(2)18(9-13)28-12-20(23)22-16(11-21(24)25)15-7-8-17(26-3)19(10-15)27-4/h5-10,16H,11-12H2,1-4H3,(H,22,23)(H,24,25)
InChIKey AVBYSDWWDHLWOY-UHFFFAOYSA-N
Molecular Weight 387.432 g/mol
SMILES C=1C(=C(C=CC1C(NC(=O)COC=1C(=CC=C(C1)C)C)CC(O)=O)OC)OC