SpectraBase Spectrum ID |
kWVY39Qgi1 |
Name |
2-(Piperazin-1-yl)-1-(4-(trifluoromethyl)phenyl)propan-1-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
286.129297663 u |
Formula |
C14H17F3N2O |
InChI |
InChI=1S/C14H17F3N2O/c1-10(19-8-6-18-7-9-19)13(20)11-2-4-12(5-3-11)14(15,16)17/h2-5,10,18H,6-9H2,1H3 |
InChIKey |
AHIOBEBDNIWSEC-UHFFFAOYSA-N |
Molecular Weight |
286.298 g/mol |
SMILES |
C1=C(C=CC(=C1)C(C(N1CCNCC1)C)=O)C(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911814 |