| SpectraBase Spectrum ID |
FFWSZpIycP7 |
| Name |
Benzene-1,3-diol, o,o'-acetyl-2-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.042987008 u |
| Formula |
C10H9NO6 |
| InChI |
InChI=1S/C10H9NO6/c1-6(12)16-8-4-3-5-9(17-7(2)13)10(8)11(14)15/h3-5H,1-2H3 |
| InChIKey |
IMZBZTLSMCOIJA-UHFFFAOYSA-N |
| Molecular Weight |
239.183 g/mol |
| SMILES |
C1(N(=O)=O)=C(OC(C)=O)C=CC=C1OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967911 |
