| SpectraBase Spectrum ID |
6eZE4CCI5NK |
| Name |
Benzamide, 3-fluoro-5-trifluoromethyl-N-methyl-N-propyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.093326694 u |
| Formula |
C12H13F4NO |
| InChI |
InChI=1S/C12H13F4NO/c1-3-4-17(2)11(18)8-5-9(12(14,15)16)7-10(13)6-8/h5-7H,3-4H2,1-2H3 |
| InChIKey |
QMMSPNLWEOZZDB-UHFFFAOYSA-N |
| Molecular Weight |
263.236 g/mol |
| SMILES |
C1=C(C=C(C=C1F)C(N(C)CCC)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817206 |
