| SpectraBase Spectrum ID |
7zeGituMBQC |
| Name |
Benzamide, 3-chloro-2-fluoro-N-benzyl-N-hexyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.145220227 u |
| Formula |
C20H23ClFNO |
| InChI |
InChI=1S/C20H23ClFNO/c1-2-3-4-8-14-23(15-16-10-6-5-7-11-16)20(24)17-12-9-13-18(21)19(17)22/h5-7,9-13H,2-4,8,14-15H2,1H3 |
| InChIKey |
FOOZENVKUSANCA-UHFFFAOYSA-N |
| Molecular Weight |
347.861 g/mol |
| SMILES |
C(N(CCCCCC)CC1=CC=CC=C1)(=O)C=1C(F)=C(C=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857274 |
