SpectraBase Spectrum ID |
BGA2aqXpALe |
Name |
Benzamide, 4-trifluoromethyl-N-(2-butyl)-N-(2-ethylhexyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
357.227949078 u |
Formula |
C20H30F3NO |
InChI |
InChI=1S/C20H30F3NO/c1-5-8-9-16(7-3)14-24(15(4)6-2)19(25)17-10-12-18(13-11-17)20(21,22)23/h10-13,15-16H,5-9,14H2,1-4H3 |
InChIKey |
BQWSGXMFQLVGKY-UHFFFAOYSA-N |
Molecular Weight |
357.461 g/mol |
SMILES |
C1=C(C=CC(=C1)C(F)(F)F)C(=O)N(CC(CCCC)CC)C(CC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822643 |