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1-(4-(2-(4-Chlorophenoxy)acetyl)piperazin-1-yl)-3-cyclopentylpropan-1-one oxalate

View entire compound with spectra: 2 NMR

1-(4-(2-(4-Chlorophenoxy)acetyl)piperazin-1-yl)-3-cyclopentylpropan-1-one oxalate
SpectraBase Compound ID B0eOJ9eJ2AC
InChI InChI=1S/C20H27ClN2O3.C2H2O4/c21-17-6-8-18(9-7-17)26-15-20(25)23-13-11-22(12-14-23)19(24)10-5-16-3-1-2-4-16;3-1(4)2(5)6/h6-9,16H,1-5,10-15H2;(H,3,4)(H,5,6)
InChIKey GUWIJHIADVQWQY-UHFFFAOYSA-N
Mol Weight 468.93 g/mol
Molecular Formula C22H29ClN2O7
Exact Mass 468.166329 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KaJyAaynvYI
Name 1-(4-(2-(4-Chlorophenoxy)acetyl)piperazin-1-yl)-3-cyclopentylpropan-1-one oxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.166328975 u
Formula C22H29ClN2O7
InChI InChI=1S/C20H27ClN2O3.C2H2O4/c21-17-6-8-18(9-7-17)26-15-20(25)23-13-11-22(12-14-23)19(24)10-5-16-3-1-2-4-16;3-1(4)2(5)6/h6-9,16H,1-5,10-15H2;(H,3,4)(H,5,6)
InChIKey GUWIJHIADVQWQY-UHFFFAOYSA-N
Molecular Weight 468.934 g/mol
SMILES OC(C(O)=O)=O.C1CC(CCC(N2CCN(CC2)C(COC=2C=CC(=CC2)Cl)=O)=O)CC1