| SpectraBase Spectrum ID |
FVeZZKHTONI |
| Name |
Benzamide, 2,5-difluoro-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 |
345.190420754 u |
| Formula |
C21H25F2NO |
| InChI |
InChI=1S/C21H25F2NO/c1-2-3-4-8-14-24(15-13-17-9-6-5-7-10-17)21(25)19-16-18(22)11-12-20(19)23/h5-7,9-12,16H,2-4,8,13-15H2,1H3 |
| InChIKey |
JEAJUIBUQJLGGF-UHFFFAOYSA-N |
| Molecular Weight |
345.434 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C(=CC=C(C1)F)F)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812989 |
