| SpectraBase Spectrum ID |
9W1NnFVGtk3 |
| Name |
4-Chromanone, 6-nitro-4H-1-benzopyran-4-one, 2,3-dihydro-6-nitro-; 6-nitro-4-chromanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
193.037507705 u |
| Formula |
C9H7NO4 |
| InChI |
InChI=1S/C9H7NO4/c11-8-3-4-14-9-2-1-6(10(12)13)5-7(8)9/h1-2,5H,3-4H2 |
| InChIKey |
KUAWMWVXZMQZLD-UHFFFAOYSA-N |
| Molecular Weight |
193.158 g/mol |
| SMILES |
C1OC=2C=CC(=CC2C(C1)=O)[N+]([O-])=O |
| Spectrum/Structure Validation Score (Raman) |
0.95578 |
