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1'-(1-(4-Chlorophenyl)-2,5-dioxopyrrolidin-3-yl)-[1,4'-bipiperidine]-4'-carboxamide

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1'-(1-(4-Chlorophenyl)-2,5-dioxopyrrolidin-3-yl)-[1,4'-bipiperidine]-4'-carboxamide
SpectraBase Compound ID 9WsmgrUMPKM
InChI InChI=1S/C21H27ClN4O3/c22-15-4-6-16(7-5-15)26-18(27)14-17(19(26)28)24-12-8-21(9-13-24,20(23)29)25-10-2-1-3-11-25/h4-7,17H,1-3,8-14H2,(H2,23,29)
InChIKey MGVUFWGLNJOQSF-UHFFFAOYSA-N
Mol Weight 418.93 g/mol
Molecular Formula C21H27ClN4O3
Exact Mass 418.177168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hq4EcvHRJdI
Name 1'-(1-(4-Chlorophenyl)-2,5-dioxopyrrolidin-3-yl)-[1,4'-bipiperidine]-4'-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.177168442 u
Formula C21H27ClN4O3
InChI InChI=1S/C21H27ClN4O3/c22-15-4-6-16(7-5-15)26-18(27)14-17(19(26)28)24-12-8-21(9-13-24,20(23)29)25-10-2-1-3-11-25/h4-7,17H,1-3,8-14H2,(H2,23,29)
InChIKey MGVUFWGLNJOQSF-UHFFFAOYSA-N
Molecular Weight 418.925 g/mol
SMILES NC(C1(CCN(C2C(N(C(C2)=O)C2=CC=C(C=C2)Cl)=O)CC1)N1CCCCC1)=O