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4-Morpholinepropanoic acid, 2-[[(4-chlorophenyl)methyl]thio]cyclohexyl ester

View entire compound with spectra: 2 NMR

4-Morpholinepropanoic acid, 2-[[(4-chlorophenyl)methyl]thio]cyclohexyl ester
SpectraBase Compound ID DxcMoP1v8Ps
InChI InChI=1S/C20H28ClNO3S/c21-17-7-5-16(6-8-17)15-26-19-4-2-1-3-18(19)25-20(23)9-10-22-11-13-24-14-12-22/h5-8,18-19H,1-4,9-15H2
InChIKey UAPORWIYLAFXIR-UHFFFAOYSA-N
Mol Weight 397.96 g/mol
Molecular Formula C20H28ClNO3S
Exact Mass 397.147843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IoDc03RGwXv
Name 4-Morpholinepropanoic acid, 2-[[(4-chlorophenyl)methyl]thio]cyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.147842637 u
Formula C20H28ClNO3S
InChI InChI=1S/C20H28ClNO3S/c21-17-7-5-16(6-8-17)15-26-19-4-2-1-3-18(19)25-20(23)9-10-22-11-13-24-14-12-22/h5-8,18-19H,1-4,9-15H2
InChIKey UAPORWIYLAFXIR-UHFFFAOYSA-N
Molecular Weight 397.961 g/mol
SMILES C(OC1C(SCC2=CC=C(C=C2)Cl)CCCC1)(CCN1CCOCC1)=O