| SpectraBase Spectrum ID |
7nYPlwseNtV |
| Name |
2-Chloro-N-(4-fluoro-3-nitrophenyl)propanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.020747986 u |
| Formula |
C9H8ClFN2O3 |
| InChI |
InChI=1S/C9H8ClFN2O3/c1-5(10)9(14)12-6-2-3-7(11)8(4-6)13(15)16/h2-5H,1H3,(H,12,14) |
| InChIKey |
ZIXQXLMDSBTRAE-UHFFFAOYSA-N |
| Molecular Weight |
246.625 g/mol |
| SMILES |
C1(F)=C(C=C(C=C1)NC(=O)C(Cl)C)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981442 |
