| SpectraBase Compound ID | 6J8cZ9GPwXB |
|---|---|
| InChI | InChI=1S/C9H9NO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,10H2,1H3,(H,11,12) |
| InChIKey | QKOKLMFCKLEFDV-UHFFFAOYSA-N |
| Mol Weight | 195.17 g/mol |
| Molecular Formula | C9H9NO4 |
| Exact Mass | 195.053158 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DlacOiW1fQ3 |
|---|---|
| Name | 3-Amino-4-carbomethoxy-benzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.053157770 u |
| Formula | C9H9NO4 |
| InChI | InChI=1S/C9H9NO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,10H2,1H3,(H,11,12) |
| InChIKey | QKOKLMFCKLEFDV-UHFFFAOYSA-N |
| Molecular Weight | 195.174 g/mol |
| SMILES | C(OC)(C=1C(=CC(=CC1)C(=O)O)N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.752147 |