| SpectraBase Spectrum ID |
6151FKwOX4M |
| Name |
(2E)-3-(4-Benzyl-1-piperazinyl)-2-((4-fluorophenyl)sulfonyl)-2-propenenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.126026231 u |
| Formula |
C20H20FN3O2S |
| InChI |
InChI=1S/C20H20FN3O2S/c21-18-6-8-19(9-7-18)27(25,26)20(14-22)16-24-12-10-23(11-13-24)15-17-4-2-1-3-5-17/h1-9,16H,10-13,15H2/b20-16+ |
| InChIKey |
FENUMIDTPJFJEO-CAPFRKAQSA-N |
| Molecular Weight |
385.457 g/mol |
| SMILES |
C1N(\C=C/(S(C2=CC=C(C=C2)F)(=O)=O)C#N)CCN(C1)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807796 |
