| SpectraBase Spectrum ID |
GsE86eg2yqN |
| Name |
2,3,4-Trifluorobenzamide, N-(2-phenylethyl)-N-pentyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.165348820 u |
| Formula |
C20H22F3NO |
| InChI |
InChI=1S/C20H22F3NO/c1-2-3-7-13-24(14-12-15-8-5-4-6-9-15)20(25)16-10-11-17(21)19(23)18(16)22/h4-6,8-11H,2-3,7,12-14H2,1H3 |
| InChIKey |
FCGZEKWXECMVDV-UHFFFAOYSA-N |
| Molecular Weight |
349.397 g/mol |
| SMILES |
C1(=CC=CC=C1)CCN(C(=O)C1=C(C(=C(C=C1)F)F)F)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829944 |
