| SpectraBase Spectrum ID |
IqXNerDNMIV |
| Name |
2-Propanone, (p-nitrophenoxy)-; 2-propanone, 1-(4-nitrophenoxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
195.053157770 u |
| Formula |
C9H9NO4 |
| InChI |
InChI=1S/C9H9NO4/c1-7(11)6-14-9-4-2-8(3-5-9)10(12)13/h2-5H,6H2,1H3 |
| InChIKey |
BTPOVNGEGQQHIV-UHFFFAOYSA-N |
| Molecular Weight |
195.174 g/mol |
| SMILES |
CC(COC1=CC=C(C=C1)[N+]([O-])=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.893512 |
