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2-{[4-(3-Chlorophenyl)-1-piperazinyl]carbonyl}cyclohexanecarboxylic acid

View entire compound with spectra: 2 NMR

2-{[4-(3-Chlorophenyl)-1-piperazinyl]carbonyl}cyclohexanecarboxylic acid
SpectraBase Compound ID LnxmGacdboG
InChI InChI=1S/C18H23ClN2O3/c19-13-4-3-5-14(12-13)20-8-10-21(11-9-20)17(22)15-6-1-2-7-16(15)18(23)24/h3-5,12,15-16H,1-2,6-11H2,(H,23,24)
InChIKey NNVAEGDGLIJWFI-UHFFFAOYSA-N
Mol Weight 350.85 g/mol
Molecular Formula C18H23ClN2O3
Exact Mass 350.13972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9BJIITu5UJ5
Name 2-{[4-(3-Chlorophenyl)-1-piperazinyl]carbonyl}cyclohexanecarboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.139720306 u
Formula C18H23ClN2O3
InChI InChI=1S/C18H23ClN2O3/c19-13-4-3-5-14(12-13)20-8-10-21(11-9-20)17(22)15-6-1-2-7-16(15)18(23)24/h3-5,12,15-16H,1-2,6-11H2,(H,23,24)
InChIKey NNVAEGDGLIJWFI-UHFFFAOYSA-N
Molecular Weight 350.846 g/mol
SMILES OC(C1C(C(N2CCN(C3=CC(Cl)=CC=C3)CC2)=O)CCCC1)=O