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(Z)-4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-3-(2-hydroxyethylthio)-1-phenyl-2-buten-1-one
SpectraBase Compound ID 6GS4kutfA76
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
Mol Weight 431.98 g/mol
Molecular Formula C23H26ClNO3S
Exact Mass 431.132193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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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