| SpectraBase Spectrum ID |
4yuIVmkBUcQ |
| Name |
2-Cyclohexen-1-one, 2-[1-[[[4-(4-fluorophenyl)-3-pentenyl]oxy]imino]butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-; 2H-thiopyran, 2-cyclohexen-1-one derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.224343293 u |
| Formula |
C26H34FNO3S |
| InChI |
InChI=1S/C26H34FNO3S/c1-3-6-23(28-31-13-4-7-18(2)19-9-11-22(27)12-10-19)26-24(29)15-21(16-25(26)30)20-8-5-14-32-17-20/h7,9-12,20-21,29H,3-6,8,13-17H2,1-2H3/b18-7+,28-23+ |
| InChIKey |
NBNNLOWYEVELCH-DERKMGHISA-N |
| Molecular Weight |
459.620 g/mol |
| SMILES |
OC=1CC(C2CSCCC2)CC(C1\C(CCC)=N\OCC\C=C\(C1=CC=C(C=C1)F)C)=O |
![2-Cyclohexen-1-one, 2-[1-[[[4-(4-fluorophenyl)-3-pentenyl]oxy]imino]butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-](/api/spectrum/4yuIVmkBUcQ/structure.png?h=300&w=458 "2-Cyclohexen-1-one, 2-[1-[[[4-(4-fluorophenyl)-3-pentenyl]oxy]imino]butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-")
