| SpectraBase Spectrum ID |
JB2S0lDfmQE |
| Name |
N-(2,6-Difluorophenyl)-N-methyl-2-phenylbutanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.127820496 u |
| Formula |
C17H17F2NO |
| InChI |
InChI=1S/C17H17F2NO/c1-3-13(12-8-5-4-6-9-12)17(21)20(2)16-14(18)10-7-11-15(16)19/h4-11,13H,3H2,1-2H3 |
| InChIKey |
MLCPGEYXDQUGEQ-UHFFFAOYSA-N |
| Molecular Weight |
289.326 g/mol |
| SMILES |
C=1C=C(F)C(N(C)C(=O)C(C2=CC=CC=C2)CC)=C(C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820017 |
