| SpectraBase Spectrum ID |
FKe1LqrEkbG |
| Name |
2,3-Methylenedioxy-5-nitrobenzoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
211.011686879 u |
| Formula |
C8H5NO6 |
| InChI |
InChI=1S/C8H5NO6/c10-8(11)5-1-4(9(12)13)2-6-7(5)15-3-14-6/h1-2H,3H2,(H,10,11) |
| InChIKey |
PYDVDSWOOUIHNR-UHFFFAOYSA-N |
| Molecular Weight |
211.129 g/mol |
| SMILES |
C(O)(C=1C=C(C=C2C1OCO2)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844773 |
