| SpectraBase Spectrum ID |
GkLGQht9oBI |
| Name |
4-Hydroxy-4-(2-nitrophenyl)but-3-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
207.053157770 u |
| Formula |
C10H9NO4 |
| InChI |
InChI=1S/C10H9NO4/c1-7(12)6-10(13)8-4-2-3-5-9(8)11(14)15/h2-6,13H,1H3/b10-6- |
| InChIKey |
KXPLNHISRSWXNM-POHAHGRESA-N |
| Molecular Weight |
207.185 g/mol |
| SMILES |
C=1(N(=O)=O)C(\C(=C\C(=O)C)O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937721 |
