![(2S)-2-[(2,3-dimethoxybenzoyl)amino]-3-methyl-butanoic acid](/api/spectrum/AnQeo2GWnUe/structure.png?h=300&w=458 "(2S)-2-[(2,3-dimethoxybenzoyl)amino]-3-methyl-butanoic acid")
| SpectraBase Compound ID | 531Pm5xnBxk |
|---|---|
| InChI | InChI=1S/C14H19NO5/c1-8(2)11(14(17)18)15-13(16)9-6-5-7-10(19-3)12(9)20-4/h5-8,11H,1-4H3,(H,15,16)(H,17,18)/t11-/m0/s1 |
| InChIKey | MCVZDYCHNOJNDX-NSHDSACASA-N |
| Mol Weight | 281.31 g/mol |
| Molecular Formula | C14H19NO5 |
| Exact Mass | 281.126323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AnQeo2GWnUe |
|---|---|
| Name | (2S)-2-[(2,3-Dimethoxybenzoyl)amino]-3-methyl-butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.126322711 u |
| Formula | C14H19NO5 |
| InChI | InChI=1S/C14H19NO5/c1-8(2)11(14(17)18)15-13(16)9-6-5-7-10(19-3)12(9)20-4/h5-8,11H,1-4H3,(H,15,16)(H,17,18)/t11-/m0/s1 |
| InChIKey | MCVZDYCHNOJNDX-NSHDSACASA-N |
| SMILES | C(C=1C(=C(OC)C=CC1)OC)(N[C@](C(=O)O)(C(C)C)[H])=O |