| SpectraBase Compound ID | 5qqWkxQxhet |
|---|---|
| InChI | InChI=1S/C13H15NO5/c1-19-13(18)9-4-2-5-10(8-9)14-11(15)6-3-7-12(16)17/h2,4-5,8H,3,6-7H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | URELNJLWCXZNGV-UHFFFAOYSA-N |
| Mol Weight | 265.26 g/mol |
| Molecular Formula | C13H15NO5 |
| Exact Mass | 265.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LANdFE40xLi |
|---|---|
| Name | 5-(3-Carbomethoxyanilino)-5-keto-valeric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.095022582 u |
| Formula | C13H15NO5 |
| InChI | InChI=1S/C13H15NO5/c1-19-13(18)9-4-2-5-10(8-9)14-11(15)6-3-7-12(16)17/h2,4-5,8H,3,6-7H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | URELNJLWCXZNGV-UHFFFAOYSA-N |
| SMILES | C(CCCC(=O)NC=1C=C(C=CC1)C(=O)OC)(=O)O |