| SpectraBase Spectrum ID |
1VQ8Q4x7rdY |
| Name |
Benzamide, 2,6-difluoro-3-methyl-N-(2-phenylethyl)-N-nonyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.253021012 u |
| Formula |
C25H33F2NO |
| InChI |
InChI=1S/C25H33F2NO/c1-3-4-5-6-7-8-12-18-28(19-17-21-13-10-9-11-14-21)25(29)23-22(26)16-15-20(2)24(23)27/h9-11,13-16H,3-8,12,17-19H2,1-2H3 |
| InChIKey |
PDSGWRHAVLAWKU-UHFFFAOYSA-N |
| Molecular Weight |
401.542 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C(=CC=C(C1F)C)F)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809489 |
