| SpectraBase Spectrum ID |
BCH4kIsLa2O |
| Name |
2-Cyclohexen-1-one, 3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-[1-[[[4-[4-(trifluoromethyl)phenyl]-2-butenyl]oxy]imino]propyl]-; 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 |
481.189849490 u |
| Formula |
C25H30F3NO3S |
| InChI |
InChI=1S/C25H30F3NO3S/c1-2-21(24-22(30)14-19(15-23(24)31)18-7-5-13-33-16-18)29-32-12-4-3-6-17-8-10-20(11-9-17)25(26,27)28/h3-4,8-11,18-19,30H,2,5-7,12-16H2,1H3/b4-3+,29-21+ |
| InChIKey |
UNGGJRCTHLHGGW-JSPFNDNLSA-N |
| Molecular Weight |
481.574 g/mol |
| SMILES |
OC1=C(C(CC(C2CCCSC2)C1)=O)\C(CC)=N\OC\C=C\CC=1C=CC(=CC1)C(F)(F)F |
![2-Cyclohexen-1-one, 3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-[1-[[[4-[4-(trifluoromethyl)phenyl]-2-butenyl]oxy]imino]propyl]-; 2H-thiopyran, 2-cyclohexen-1-one derivative](/api/spectrum/BCH4kIsLa2O/structure.png?h=300&w=458 "2-Cyclohexen-1-one, 3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-[1-[[[4-[4-(trifluoromethyl)phenyl]-2-butenyl]oxy]imino]propyl]-; 2H-thiopyran, 2-cyclohexen-1-one derivative")
