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Pyrrolidine-2,5-dione, 1-(3-chlorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]-
SpectraBase Compound ID 8YcMnKFi1jw
InChI InChI=1S/C20H20ClN3O3/c21-14-2-1-3-16(12-14)24-19(26)13-18(20(24)27)23-10-8-22(9-11-23)15-4-6-17(25)7-5-15/h1-7,12,18,25H,8-11,13H2
InChIKey ADOWKFVIFZCEHO-UHFFFAOYSA-N
Mol Weight 385.85 g/mol
Molecular Formula C20H20ClN3O3
Exact Mass 385.119319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFAtKFugUf5
Name Pyrrolidine-2,5-dione, 1-(3-chlorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.119319213 u
Formula C20H20ClN3O3
InChI InChI=1S/C20H20ClN3O3/c21-14-2-1-3-16(12-14)24-19(26)13-18(20(24)27)23-10-8-22(9-11-23)15-4-6-17(25)7-5-15/h1-7,12,18,25H,8-11,13H2
InChIKey ADOWKFVIFZCEHO-UHFFFAOYSA-N
Molecular Weight 385.851 g/mol
SMILES C1=CC=C(N2C(C(N3CCN(C=4C=CC(=CC4)O)CC3)CC2=O)=O)C=C1Cl