| SpectraBase Spectrum ID |
J8FZ45b7jAx |
| Name |
3'-Hydroxy-4'-nitro-acetophenone; acetophenone, 3'-hydroxy-4'-nitro-; ethanone, 1-(3-hydroxy-4-nitrophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
181.037507705 u |
| Formula |
C8H7NO4 |
| InChI |
InChI=1S/C8H7NO4/c1-5(10)6-2-3-7(9(12)13)8(11)4-6/h2-4,11H,1H3 |
| InChIKey |
LHGMRIVCXMLBNA-UHFFFAOYSA-N |
| SMILES |
OC=1C=C(C=CC1[N+]([O-])=O)C(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.965121 |
