| SpectraBase Spectrum ID |
BHfyatA3Ti7 |
| Name |
4-Hydroxy-3-methoxy-5-nitrobenzoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
213.027336943 u |
| Formula |
C8H7NO6 |
| InChI |
InChI=1S/C8H7NO6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3,(H,11,12) |
| InChIKey |
AEDVAGWYAKIOIM-UHFFFAOYSA-N |
| Molecular Weight |
213.145 g/mol |
| SMILES |
C1(=CC(=C(C(=C1)OC)O)N(=O)=O)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946691 |
