![5-[4-(Carboxymethyl)anilino]-5-oxopentanoic acid](/api/spectrum/APl6nDWP0q3/structure.png?h=300&w=458 "5-[4-(Carboxymethyl)anilino]-5-oxopentanoic acid")
| SpectraBase Compound ID | DPZmD6DIkoG |
|---|---|
| InChI | InChI=1S/C13H15NO5/c15-11(2-1-3-12(16)17)14-10-6-4-9(5-7-10)8-13(18)19/h4-7H,1-3,8H2,(H,14,15)(H,16,17)(H,18,19) |
| InChIKey | KCQGYPGOPDEMBG-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 | APl6nDWP0q3 |
|---|---|
| Name | 5-[4-(Carboxymethyl)anilino]-5-oxopentanoic 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/c15-11(2-1-3-12(16)17)14-10-6-4-9(5-7-10)8-13(18)19/h4-7H,1-3,8H2,(H,14,15)(H,16,17)(H,18,19) |
| InChIKey | KCQGYPGOPDEMBG-UHFFFAOYSA-N |
| Molecular Weight | 265.265 g/mol |
| SMILES | N(C(CCCC(=O)O)=O)C=1C=CC(CC(=O)O)=CC1 |