| SpectraBase Spectrum ID |
241qvfU2OdE |
| Name |
Benzamide, 2,4-dichloro-N-isobutyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.037419442 u |
| Formula |
C11H13Cl2NO |
| InChI |
InChI=1S/C11H13Cl2NO/c1-7(2)6-14-11(15)9-4-3-8(12)5-10(9)13/h3-5,7H,6H2,1-2H3,(H,14,15) |
| InChIKey |
QJDLLWDZNKMZBG-UHFFFAOYSA-N |
| Molecular Weight |
246.137 g/mol |
| SMILES |
C1=C(C(=CC=C1Cl)C(NCC(C)C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83718 |
