| SpectraBase Spectrum ID |
ITCLe4r71UT |
| Name |
2,2,3,3,3-Pentafluoro-1-(4-(4-methoxy-3-methylbenzyl)piperazin-1-yl)propan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.136668673 u |
| Formula |
C16H19F5N2O2 |
| InChI |
InChI=1S/C16H19F5N2O2/c1-11-9-12(3-4-13(11)25-2)10-22-5-7-23(8-6-22)14(24)15(17,18)16(19,20)21/h3-4,9H,5-8,10H2,1-2H3 |
| InChIKey |
RUIJEYSUXNMQRE-UHFFFAOYSA-N |
| Molecular Weight |
366.332 g/mol |
| SMILES |
C(N1CCN(CC1)C(C(F)(F)C(F)(F)F)=O)C1=CC(=C(C=C1)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843288 |
