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N-(2,4-dichlorophenyl)-1-(4-isopropylbenzyl)-5-keto-pyrrolidine-3-carboxamide

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N-(2,4-dichlorophenyl)-1-(4-isopropylbenzyl)-5-keto-pyrrolidine-3-carboxamide
SpectraBase Compound ID 6Z23yWHmJ2R
InChI InChI=1S/C21H22Cl2N2O2/c1-13(2)15-5-3-14(4-6-15)11-25-12-16(9-20(25)26)21(27)24-19-8-7-17(22)10-18(19)23/h3-8,10,13,16H,9,11-12H2,1-2H3,(H,24,27)
InChIKey ZBWKTONLUIDGGK-UHFFFAOYSA-N
Mol Weight 405.33 g/mol
Molecular Formula C21H22Cl2N2O2
Exact Mass 404.105833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ik2H5AHKAeX
Name N-(2,4-Dichlorophenyl)-1-(4-isopropylbenzyl)-5-keto-pyrrolidine-3-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.105833354 u
Formula C21H22Cl2N2O2
InChI InChI=1S/C21H22Cl2N2O2/c1-13(2)15-5-3-14(4-6-15)11-25-12-16(9-20(25)26)21(27)24-19-8-7-17(22)10-18(19)23/h3-8,10,13,16H,9,11-12H2,1-2H3,(H,24,27)
InChIKey ZBWKTONLUIDGGK-UHFFFAOYSA-N
Molecular Weight 405.325 g/mol
SMILES CC(C1=CC=C(CN2C(CC(C2)C(NC2=C(C=C(C=C2)Cl)Cl)=O)=O)C=C1)C