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4-{1-[4-(4-chlorophenoxy)butyl]-1H-benzimidazol-2-yl}-1-(4-methylphenyl)-2-pyrrolidinone
SpectraBase Compound ID KZeU5uE4Grh
InChI InChI=1S/C28H28ClN3O2/c1-20-8-12-23(13-9-20)32-19-21(18-27(32)33)28-30-25-6-2-3-7-26(25)31(28)16-4-5-17-34-24-14-10-22(29)11-15-24/h2-3,6-15,21H,4-5,16-19H2,1H3
InChIKey FICJUQPOWJJJFJ-UHFFFAOYSA-N
Mol Weight 474.0 g/mol
Molecular Formula C28H28ClN3O2
Exact Mass 473.187005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hntvg4kXzG
Name 4-{1-[4-(4-Chlorophenoxy)butyl]-1H-benzimidazol-2-yl}-1-(4-methylphenyl)-2-pyrrolidinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.187004852 u
Formula C28H28ClN3O2
InChI InChI=1S/C28H28ClN3O2/c1-20-8-12-23(13-9-20)32-19-21(18-27(32)33)28-30-25-6-2-3-7-26(25)31(28)16-4-5-17-34-24-14-10-22(29)11-15-24/h2-3,6-15,21H,4-5,16-19H2,1H3
InChIKey FICJUQPOWJJJFJ-UHFFFAOYSA-N
Molecular Weight 474.004 g/mol
SMILES C1(=NC2=CC=CC=C2N1CCCCOC=1C=CC(=CC1)Cl)C1CN(C2=CC=C(C=C2)C)C(C1)=O