SpectraBase Spectrum ID |
IwVY7uRgtVU |
Name |
Benzamide, 2,6-difluoro-3-methyl-N-benzyl-N-pentyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
331.174770690 u |
Formula |
C20H23F2NO |
InChI |
InChI=1S/C20H23F2NO/c1-3-4-8-13-23(14-16-9-6-5-7-10-16)20(24)18-17(21)12-11-15(2)19(18)22/h5-7,9-12H,3-4,8,13-14H2,1-2H3 |
InChIKey |
YVQIUTQGNRSNRG-UHFFFAOYSA-N |
Molecular Weight |
331.407 g/mol |
SMILES |
C(N(CCCCC)CC1=CC=CC=C1)(=O)C=1C(F)=C(C=CC1F)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912811 |