| SpectraBase Spectrum ID |
9ETpRPjHAew |
| Name |
N-Ethylcathinone, N-chlorodifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.068112719 u |
| Formula |
C13H14ClF2NO2 |
| InChI |
InChI=1S/C13H14ClF2NO2/c1-3-17(12(19)13(14,15)16)9(2)11(18)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3 |
| InChIKey |
HZVQJIYQPGIGLW-UHFFFAOYSA-N |
| Molecular Weight |
289.710 g/mol |
| SMILES |
C1(=CC=CC=C1)C(C(C)N(CC)C(C(F)(F)Cl)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904584 |
