| SpectraBase Spectrum ID |
2aJmP9J59Yf |
| Name |
N-(sec-Butyl)-3,4-dichlorobenzamide |
| 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/c1-3-7(2)14-11(15)8-4-5-9(12)10(13)6-8/h4-7H,3H2,1-2H3,(H,14,15) |
| InChIKey |
GMSXJBHZLZLIEQ-UHFFFAOYSA-N |
| Molecular Weight |
246.137 g/mol |
| SMILES |
C1(Cl)=C(C=CC(=C1)C(=O)NC(CC)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860804 |
