SpectraBase Spectrum ID |
6tzfFKUDyPs |
Name |
Benzamide, 2,6-difluoro-3-methyl-N-(2-pentyl)-N-nonyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
367.268671076 u |
Formula |
C22H35F2NO |
InChI |
InChI=1S/C22H35F2NO/c1-5-7-8-9-10-11-12-16-25(18(4)13-6-2)22(26)20-19(23)15-14-17(3)21(20)24/h14-15,18H,5-13,16H2,1-4H3 |
InChIKey |
BUJKAGPIOGJZQM-UHFFFAOYSA-N |
Molecular Weight |
367.525 g/mol |
SMILES |
C(C1=C(C(=CC=C1F)C)F)(N(CCCCCCCCC)C(CCC)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860895 |