SpectraBase Spectrum ID |
88HFWBDgZbD |
Name |
Benzamide, 4-(trifluoromethyl)-N-(2-phenylethyl)-N-ethyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
321.134048692 u |
Formula |
C18H18F3NO |
InChI |
InChI=1S/C18H18F3NO/c1-2-22(13-12-14-6-4-3-5-7-14)17(23)15-8-10-16(11-9-15)18(19,20)21/h3-11H,2,12-13H2,1H3 |
InChIKey |
XKZQITZJAUWEOB-UHFFFAOYSA-N |
Molecular Weight |
321.343 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C=CC(=CC1)C(F)(F)F)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902088 |