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2-Pyrrolidinone, 4-[1-[4-(3-methylphenoxy)butyl]-1H-1,3-benzimidazol-2-yl]-1-(2-methylphenyl)-
SpectraBase Compound ID 56dJK7SywkG
InChI InChI=1S/C29H31N3O2/c1-21-10-9-12-24(18-21)34-17-8-7-16-31-27-15-6-4-13-25(27)30-29(31)23-19-28(33)32(20-23)26-14-5-3-11-22(26)2/h3-6,9-15,18,23H,7-8,16-17,19-20H2,1-2H3
InChIKey ZMECTEDSIVFIHL-UHFFFAOYSA-N
Mol Weight 453.59 g/mol
Molecular Formula C29H31N3O2
Exact Mass 453.241627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CqqgEPSOUDz
Name 2-Pyrrolidinone, 4-[1-[4-(3-methylphenoxy)butyl]-1H-1,3-benzimidazol-2-yl]-1-(2-methylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.241627248 u
Formula C29H31N3O2
InChI InChI=1S/C29H31N3O2/c1-21-10-9-12-24(18-21)34-17-8-7-16-31-27-15-6-4-13-25(27)30-29(31)23-19-28(33)32(20-23)26-14-5-3-11-22(26)2/h3-6,9-15,18,23H,7-8,16-17,19-20H2,1-2H3
InChIKey ZMECTEDSIVFIHL-UHFFFAOYSA-N
Molecular Weight 453.586 g/mol
SMILES C=1C=C2N=C(N(C2=CC1)CCCCOC1=CC(=CC=C1)C)C1CN(C2=CC=CC=C2C)C(C1)=O