| SpectraBase Compound ID | 7Ndxy5yhKiO |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-2-6-4-3-5-7(8(6)10)9(11)12/h3-5H,2,10H2,1H3,(H,11,12) |
| InChIKey | SBQAYBZZYVWGTL-UHFFFAOYSA-N |
| Mol Weight | 165.19 g/mol |
| Molecular Formula | C9H11NO2 |
| Exact Mass | 165.078979 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GmAysmEJbyH |
|---|---|
| Name | 3-Ethylanthranilic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.078978596 u |
| Formula | C9H11NO2 |
| InChI | InChI=1S/C9H11NO2/c1-2-6-4-3-5-7(8(6)10)9(11)12/h3-5H,2,10H2,1H3,(H,11,12) |
| InChIKey | SBQAYBZZYVWGTL-UHFFFAOYSA-N |
| SMILES | NC1=C(C(O)=O)C=CC=C1CC |
| Spectrum/Structure Validation Score (Raman) | 0.871758 |