SpectraBase Spectrum ID |
3IPVcD8RsVq |
Name |
Benzamide, 2,6-difluoro-3-methyl-N-benzyl-N-decyl- |
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/c1-3-4-5-6-7-8-9-13-18-28(19-21-14-11-10-12-15-21)25(29)23-22(26)17-16-20(2)24(23)27/h10-12,14-17H,3-9,13,18-19H2,1-2H3 |
InChIKey |
ZABODLCZZKBTOC-UHFFFAOYSA-N |
Molecular Weight |
401.542 g/mol |
SMILES |
C(N(CCCCCCCCCC)CC1=CC=CC=C1)(=O)C=1C(F)=C(C=CC1F)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800792 |