| SpectraBase Spectrum ID |
4no0N0Y3ZD3 |
| Name |
Benzamide, 3-trifluoromethyl-N-(2-pentyl)-N-(hept-2-yl)- |
| 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/c1-5-7-8-11-16(4)24(15(3)10-6-2)19(25)17-12-9-13-18(14-17)20(21,22)23/h9,12-16H,5-8,10-11H2,1-4H3 |
| InChIKey |
PKIKLZFVOIMIBG-UHFFFAOYSA-N |
| Molecular Weight |
357.461 g/mol |
| SMILES |
C(N(C(CCC)C)C(=O)C1=CC(C(F)(F)F)=CC=C1)(CCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83387 |
