| SpectraBase Spectrum ID |
Crd55ZWNh20 |
| Name |
(Z)-4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-3-(2-hydroxyethylthio)-1-phenyl-2-buten-1-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.132192572 u |
| Formula |
C23H26ClNO3S |
| InChI |
InChI=1S/C23H26ClNO3S/c24-20-8-6-19(7-9-20)23(28)10-12-25(13-11-23)17-21(29-15-14-26)16-22(27)18-4-2-1-3-5-18/h1-9,16,26,28H,10-15,17H2/b21-16- |
| InChIKey |
JRUVHLFZMXLTIT-PGMHBOJBSA-N |
| Molecular Weight |
431.978 g/mol |
| SMILES |
C(\C=C\(CN1CCC(CC1)(C=1C=CC(=CC1)Cl)O)SCCO)(=O)C1=CC=CC=C1 |