| SpectraBase Spectrum ID |
Ft2gJw5CJXH |
| Name |
N-(3,4-Dichlorophenyl)butanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.021769377 u |
| Formula |
C10H11Cl2NO |
| InChI |
InChI=1S/C10H11Cl2NO/c1-2-3-10(14)13-7-4-5-8(11)9(12)6-7/h4-6H,2-3H2,1H3,(H,13,14) |
| InChIKey |
NNIIRGXUFKHOKI-UHFFFAOYSA-N |
| Molecular Weight |
232.110 g/mol |
| SMILES |
C1(=CC(NC(=O)CCC)=CC=C1Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836889 |
