| SpectraBase Spectrum ID |
Lj3xJy3dVqh |
| Name |
Methedrone, N-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.092577801 u |
| Formula |
C13H14F3NO3 |
| InChI |
InChI=1S/C13H14F3NO3/c1-8(17(2)12(19)13(14,15)16)11(18)9-4-6-10(20-3)7-5-9/h4-8H,1-3H3 |
| InChIKey |
VRCJISYBGFMUBX-UHFFFAOYSA-N |
| Molecular Weight |
289.254 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC)C(C(C)N(C)C(C(F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894058 |
