| SpectraBase Spectrum ID |
7jZ9b0GazZo |
| Name |
2,2,3,3,4,4,4-Heptafluoro-N-[1-(2-methoxy-5-methylphenyl)propan-2-yl]-N-methylbutanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.122575963 u |
| Formula |
C16H18F7NO2 |
| InChI |
InChI=1S/C16H18F7NO2/c1-9-5-6-12(26-4)11(7-9)8-10(2)24(3)13(25)14(17,18)15(19,20)16(21,22)23/h5-7,10H,8H2,1-4H3 |
| InChIKey |
VZTQAWVQSQJBSK-UHFFFAOYSA-N |
| Molecular Weight |
389.314 g/mol |
| SMILES |
C1(=CC(C)=CC=C1OC)CC(N(C(C(F)(C(F)(F)C(F)(F)F)F)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831537 |
![2,2,3,3,4,4,4-Heptafluoro-N-[1-(2-methoxy-5-methylphenyl)propan-2-yl]-N-methylbutanamide](/api/spectrum/7jZ9b0GazZo/structure.png?h=300&w=458 "2,2,3,3,4,4,4-Heptafluoro-N-[1-(2-methoxy-5-methylphenyl)propan-2-yl]-N-methylbutanamide")
