| SpectraBase Spectrum ID |
L3ofpOZNzxW |
| Name |
5-Chloro-4-fluoro-2-nitrophenol, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.989113504 u |
| Formula |
C8H5ClFNO4 |
| InChI |
InChI=1S/C8H5ClFNO4/c1-4(12)15-8-2-5(9)6(10)3-7(8)11(13)14/h2-3H,1H3 |
| InChIKey |
PBZGTDUBOOPJBC-UHFFFAOYSA-N |
| Molecular Weight |
233.582 g/mol |
| SMILES |
C1(F)=C(C=C(C(=C1)N(=O)=O)OC(C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977581 |
