| SpectraBase Spectrum ID |
GugTYNegp1w |
| Name |
1-(4-Hydroxy-3,5-dinitrophenyl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.022585915 u |
| Formula |
C8H6N2O6 |
| InChI |
InChI=1S/C8H6N2O6/c1-4(11)5-2-6(9(13)14)8(12)7(3-5)10(15)16/h2-3,12H,1H3 |
| InChIKey |
FZUDMWLMAWINRV-UHFFFAOYSA-N |
| Molecular Weight |
226.144 g/mol |
| SMILES |
C(C)(C1=CC(=C(C(=C1)N(=O)=O)O)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858954 |
