| SpectraBase Compound ID | 7lBiFJRDaaY |
|---|---|
| InChI | InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11) |
| InChIKey | SXOPCLUOUFQBJV-UHFFFAOYSA-N |
| Mol Weight | 167.16 g/mol |
| Molecular Formula | C8H9NO3 |
| Exact Mass | 167.058243 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4afP4y16NzX |
|---|---|
| Name | 2-Amino-3-methoxybenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.058243151 u |
| Formula | C8H9NO3 |
| InChI | InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11) |
| InChIKey | SXOPCLUOUFQBJV-UHFFFAOYSA-N |
| Molecular Weight | 167.164 g/mol |
| SMILES | C(O)(C=1C(=C(C=CC1)OC)N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.897115 |