| SpectraBase Spectrum ID |
4flt0WdrJJV |
| Name |
Methyl 3-amino-4-hydroxy-5-methoxybenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
197.068807834 u |
| Formula |
C9H11NO4 |
| InChI |
InChI=1S/C9H11NO4/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4,11H,10H2,1-2H3 |
| InChIKey |
VISBFCKPNAZKDH-UHFFFAOYSA-N |
| Molecular Weight |
197.190 g/mol |
| SMILES |
C1(=CC(=C(C(=C1)OC)O)N)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966444 |
