| SpectraBase Spectrum ID |
85J3bnBAYg2 |
| Name |
Benzamide, 2-trifluoromethyl-N-(2-pentyl)-N-pentyl- |
| 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/c1-4-6-9-13-22(14(3)10-5-2)17(23)15-11-7-8-12-16(15)18(19,20)21/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3 |
| InChIKey |
XDRJPAUGWGTEBI-UHFFFAOYSA-N |
| Molecular Weight |
329.407 g/mol |
| SMILES |
C(N(C(CCC)C)C(=O)C=1C(C(F)(F)F)=CC=CC1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860036 |
