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2-[Benzoyl(methyl)amino]-3-(2-methoxyphenyl)propanoic acid, o-methyl
SpectraBase Compound ID I0ewPfwIo3n
InChI InChI=1S/C19H21NO4/c1-20(18(21)14-9-5-4-6-10-14)16(19(22)24-3)13-15-11-7-8-12-17(15)23-2/h4-12,16H,13H2,1-3H3
InChIKey GSXWEXOVIFXFLV-UHFFFAOYSA-N
Mol Weight 327.38 g/mol
Molecular Formula C19H21NO4
Exact Mass 327.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qvSL1gwchv
Name 2-[Benzoyl(methyl)amino]-3-(2-methoxyphenyl)propanoic acid, o-methyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.147058156 u
Formula C19H21NO4
InChI InChI=1S/C19H21NO4/c1-20(18(21)14-9-5-4-6-10-14)16(19(22)24-3)13-15-11-7-8-12-17(15)23-2/h4-12,16H,13H2,1-3H3
InChIKey GSXWEXOVIFXFLV-UHFFFAOYSA-N
Molecular Weight 327.380 g/mol
SMILES C(C(CC1=C(C=CC=C1)OC)N(C)C(C1=CC=CC=C1)=O)(=O)OC