| SpectraBase Compound ID | 8fwdnEgHFH4 |
|---|---|
| InChI | InChI=1S/C8H9NO4/c1-13-8(12)4-2-5(9)7(11)3-6(4)10/h2-3,10-11H,9H2,1H3 |
| InChIKey | OZKJEDPAZXWTSM-UHFFFAOYSA-N |
| Mol Weight | 183.16 g/mol |
| Molecular Formula | C8H9NO4 |
| Exact Mass | 183.053158 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Eb79c5Q2Vv8 |
|---|---|
| Name | Methyl 5-amino-2,4-dihydroxybenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.053157770 u |
| Formula | C8H9NO4 |
| InChI | InChI=1S/C8H9NO4/c1-13-8(12)4-2-5(9)7(11)3-6(4)10/h2-3,10-11H,9H2,1H3 |
| InChIKey | OZKJEDPAZXWTSM-UHFFFAOYSA-N |
| Molecular Weight | 183.163 g/mol |
| SMILES | C1(=C(C=C(C(=C1)C(OC)=O)O)O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887344 |