| SpectraBase Spectrum ID |
9UXxbLbLkJ4 |
| Name |
4-Hydroxy-4-(2-methoxy-5-nitrophenyl)-2-butanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.079372518 u |
| Formula |
C11H13NO5 |
| InChI |
InChI=1S/C11H13NO5/c1-7(13)5-10(14)9-6-8(12(15)16)3-4-11(9)17-2/h3-4,6,10,14H,5H2,1-2H3 |
| InChIKey |
MKTFIKYMHQLEDD-UHFFFAOYSA-N |
| Molecular Weight |
239.227 g/mol |
| SMILES |
C(O)(CC(C)=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC |
| Spectrum/Structure Validation Score (Raman) |
0.902806 |
