| SpectraBase Spectrum ID |
ZgXKoWFToF |
| Name |
Piperazine, 1-(4-fluorophenyl)-4-(tetrahydro-3-thienyl)-, S,S-dioxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.115127195 u |
| Formula |
C14H19FN2O2S |
| InChI |
InChI=1S/C14H19FN2O2S/c15-12-1-3-13(4-2-12)16-6-8-17(9-7-16)14-5-10-20(18,19)11-14/h1-4,14H,5-11H2 |
| InChIKey |
DIEMLVRHXIZQGI-UHFFFAOYSA-N |
| Molecular Weight |
298.376 g/mol |
| SMILES |
C1S(CC(C1)N1CCN(C2=CC=C(F)C=C2)CC1)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905984 |
