| SpectraBase Spectrum ID |
25sLKbjqtpr |
| Name |
1-Hydroxy-1-(2-nitrophenyl)pent-1-en-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.068807834 u |
| Formula |
C11H11NO4 |
| InChI |
InChI=1S/C11H11NO4/c1-2-8(13)7-11(14)9-5-3-4-6-10(9)12(15)16/h3-7,14H,2H2,1H3/b11-7- |
| InChIKey |
YQKOQQXRXPPRAL-XFFZJAGNSA-N |
| Molecular Weight |
221.212 g/mol |
| SMILES |
C=1(N(=O)=O)C(\C(=C\C(=O)CC)O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873462 |
