| SpectraBase Spectrum ID |
PojRR7t58H |
| Name |
2,2,3,3,4,4,4-Heptafluoro-N-phenyl-N-(p-tolyl)butanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.080711150 u |
| Formula |
C17H12F7NO |
| InChI |
InChI=1S/C17H12F7NO/c1-11-7-9-13(10-8-11)25(12-5-3-2-4-6-12)14(26)15(18,19)16(20,21)17(22,23)24/h2-10H,1H3 |
| InChIKey |
CETSNLIPYSDNNV-UHFFFAOYSA-N |
| Molecular Weight |
379.278 g/mol |
| SMILES |
C1=CC=CC=C1N(C(=O)C(C(F)(C(F)(F)F)F)(F)F)C1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872733 |
