SpectraBase Spectrum ID |
HxsIMVaIX3v |
Name |
Benzamide, 4-trifluoromethyl-N-propyl-N-(hept-2-yl)- |
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/c1-4-6-7-8-14(3)22(13-5-2)17(23)15-9-11-16(12-10-15)18(19,20)21/h9-12,14H,4-8,13H2,1-3H3 |
InChIKey |
SRSYHBKOBOHPLY-UHFFFAOYSA-N |
Molecular Weight |
329.407 g/mol |
SMILES |
C(C1=CC=C(C=C1)C(F)(F)F)(N(C(CCCCC)C)CCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929603 |