![2-[N-(carboxymethyl)-3-chloro-anilino]acetic acid](/api/spectrum/AKRbvJJVj8d/structure.png?h=300&w=458 "2-[N-(carboxymethyl)-3-chloro-anilino]acetic acid")
| SpectraBase Compound ID | KDtfz2fTHMl |
|---|---|
| InChI | InChI=1S/C10H10ClNO4/c11-7-2-1-3-8(4-7)12(5-9(13)14)6-10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16) |
| InChIKey | IWFBOZWDQWDDLK-UHFFFAOYSA-N |
| Mol Weight | 243.65 g/mol |
| Molecular Formula | C10H10ClNO4 |
| Exact Mass | 243.029836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AKRbvJJVj8d |
|---|---|
| Name | 2-[N-(Carboxymethyl)-3-chloro-anilino]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.029835502 u |
| Formula | C10H10ClNO4 |
| InChI | InChI=1S/C10H10ClNO4/c11-7-2-1-3-8(4-7)12(5-9(13)14)6-10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16) |
| InChIKey | IWFBOZWDQWDDLK-UHFFFAOYSA-N |
| SMILES | C=1(N(CC(=O)O)CC(=O)O)C=C(Cl)C=CC1 |