| SpectraBase Spectrum ID |
DApoJdpytJo |
| Name |
Benzamide, 2-trifluoromethyl-N-(2-pentyl)-N-butyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.180998885 u |
| Formula |
C17H24F3NO |
| InChI |
InChI=1S/C17H24F3NO/c1-4-6-12-21(13(3)9-5-2)16(22)14-10-7-8-11-15(14)17(18,19)20/h7-8,10-11,13H,4-6,9,12H2,1-3H3 |
| InChIKey |
CDIUWPBLEJCLRV-UHFFFAOYSA-N |
| Molecular Weight |
315.380 g/mol |
| SMILES |
C(N(C(CCC)C)C(=O)C=1C(C(F)(F)F)=CC=CC1)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933048 |
