| SpectraBase Spectrum ID |
9xi3PXQ0POX |
| Name |
2,2,3,3,4,4,4-Heptafluoro-N-(1-(4-methoxy-2-methylphenyl)butan-2-yl)-N-methylbutanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.138226027 u |
| Formula |
C17H20F7NO2 |
| InChI |
InChI=1S/C17H20F7NO2/c1-5-12(9-11-6-7-13(27-4)8-10(11)2)25(3)14(26)15(18,19)16(20,21)17(22,23)24/h6-8,12H,5,9H2,1-4H3 |
| InChIKey |
LUBXQPXQOCLXPA-UHFFFAOYSA-N |
| Molecular Weight |
403.341 g/mol |
| SMILES |
C1=C(C=C(C(=C1)CC(N(C(C(C(F)(F)C(F)(F)F)(F)F)=O)C)CC)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875954 |
