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4-(4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-4-oxobutoxy)-2H-chromen-2-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-4-oxobutoxy)-2H-chromen-2-one
SpectraBase Compound ID GedJqWMhM9R
InChI InChI=1S/C24H24ClNO5/c25-18-9-7-17(8-10-18)24(29)11-13-26(14-12-24)22(27)6-3-15-30-21-16-23(28)31-20-5-2-1-4-19(20)21/h1-2,4-5,7-10,16,29H,3,6,11-15H2
InChIKey RQCRMFIIAOLWJO-UHFFFAOYSA-N
Mol Weight 441.91 g/mol
Molecular Formula C24H24ClNO5
Exact Mass 441.134301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5PSDjM4Clq6
Name 4-(4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-4-oxobutoxy)-2H-chromen-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.134300572 u
Formula C24H24ClNO5
InChI InChI=1S/C24H24ClNO5/c25-18-9-7-17(8-10-18)24(29)11-13-26(14-12-24)22(27)6-3-15-30-21-16-23(28)31-20-5-2-1-4-19(20)21/h1-2,4-5,7-10,16,29H,3,6,11-15H2
InChIKey RQCRMFIIAOLWJO-UHFFFAOYSA-N
Molecular Weight 441.911 g/mol
SMILES C1=C(C2=CC=CC=C2OC1=O)OCCCC(N1CCC(CC1)(C=1C=CC(=CC1)Cl)O)=O