| SpectraBase Compound ID | 3UYkACvmMC9 |
|---|---|
| InChI | InChI=1S/C10H11NO4/c12-9(13)6-11(7-10(14)15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)(H,14,15) |
| InChIKey | GQBWTAGIANQVGB-UHFFFAOYSA-N |
| Mol Weight | 209.2 g/mol |
| Molecular Formula | C10H11NO4 |
| Exact Mass | 209.068808 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FRs1Z0Eqh6f |
|---|---|
| Name | Anilinediacetic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.068807834 u |
| Formula | C10H11NO4 |
| InChI | InChI=1S/C10H11NO4/c12-9(13)6-11(7-10(14)15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)(H,14,15) |
| InChIKey | GQBWTAGIANQVGB-UHFFFAOYSA-N |
| Molecular Weight | 209.201 g/mol |
| SMILES | C=1(N(CC(=O)O)CC(=O)O)C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.799744 |