| SpectraBase Spectrum ID |
HCIm87Y64bx |
| Name |
Acetoxyacetic acid, 4-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.042987008 u |
| Formula |
C10H9NO6 |
| InChI |
InChI=1S/C10H9NO6/c1-7(12)16-6-10(13)17-9-4-2-8(3-5-9)11(14)15/h2-5H,6H2,1H3 |
| InChIKey |
XGFYUGQGRUDVPI-UHFFFAOYSA-N |
| Molecular Weight |
239.183 g/mol |
| SMILES |
CC(OCC(OC1=CC=C(C=C1)N(=O)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.991147 |
