| SpectraBase Spectrum ID |
ErEChQmDkPG |
| Name |
Benzamide, 2,6-difluoro-3-methyl-N-benzyl-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/c1-3-4-5-9-14-24(15-17-10-7-6-8-11-17)21(25)19-18(22)13-12-16(2)20(19)23/h6-8,10-13H,3-5,9,14-15H2,1-2H3 |
| InChIKey |
HSYAIQFVFKSWMR-UHFFFAOYSA-N |
| Molecular Weight |
345.434 g/mol |
| SMILES |
C(N(CCCCCC)CC1=CC=CC=C1)(=O)C=1C(F)=C(C=CC1F)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920436 |
