| SpectraBase Spectrum ID |
1t8PEi1AbZ5 |
| Name |
Benzamide, 3-chloro-2-fluoro-N-(2-phenylethyl)-N-hexyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.160870291 u |
| Formula |
C21H25ClFNO |
| InChI |
InChI=1S/C21H25ClFNO/c1-2-3-4-8-15-24(16-14-17-10-6-5-7-11-17)21(25)18-12-9-13-19(22)20(18)23/h5-7,9-13H,2-4,8,14-16H2,1H3 |
| InChIKey |
KOXLCZWYMVNFCT-UHFFFAOYSA-N |
| Molecular Weight |
361.888 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C=CC=C(C1F)Cl)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836567 |
