| SpectraBase Spectrum ID |
4j4LDAHW7Z7 |
| Name |
Benzamide, 3-chloro-2-fluoro-N-(2-phenylethyl)-N-pentyl- |
| 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/c1-2-3-7-14-23(15-13-16-9-5-4-6-10-16)20(24)17-11-8-12-18(21)19(17)22/h4-6,8-12H,2-3,7,13-15H2,1H3 |
| InChIKey |
HCULSBMBWHTQEP-UHFFFAOYSA-N |
| Molecular Weight |
347.861 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C=CC=C(C1F)Cl)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826613 |
