| SpectraBase Spectrum ID |
EaosJ0NdgTT |
| Name |
5-Nitro-4-acetamido-1,2-methylenedioxybenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.043321361 u |
| Formula |
C9H8N2O5 |
| InChI |
InChI=1S/C9H8N2O5/c1-5(12)10-6-2-8-9(16-4-15-8)3-7(6)11(13)14/h2-3H,4H2,1H3,(H,10,12) |
| InChIKey |
JVGRDSBPPKBVBI-UHFFFAOYSA-N |
| Molecular Weight |
224.172 g/mol |
| SMILES |
C1(=C(C=C2C(=C1)OCO2)N(=O)=O)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970291 |
