SpectraBase Spectrum ID |
H2HvGsXssru |
Name |
Benzamide, 4-trifluoromethyl-N-(2-butyl)-N-hexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
329.196648949 u |
Formula |
C18H26F3NO |
InChI |
InChI=1S/C18H26F3NO/c1-4-6-7-8-13-22(14(3)5-2)17(23)15-9-11-16(12-10-15)18(19,20)21/h9-12,14H,4-8,13H2,1-3H3 |
InChIKey |
BIOUJYPCQOFGQH-UHFFFAOYSA-N |
Molecular Weight |
329.407 g/mol |
SMILES |
C1=C(C=CC(=C1)C(F)(F)F)C(=O)N(CCCCCC)C(CC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929099 |