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4-(1-heptyl-1H-benzimidazol-2-yl)-1-(3-methylphenyl)-2-pyrrolidinone

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4-(1-heptyl-1H-benzimidazol-2-yl)-1-(3-methylphenyl)-2-pyrrolidinone
SpectraBase Compound ID KgprfIIDB5I
InChI InChI=1S/C25H31N3O/c1-3-4-5-6-9-15-27-23-14-8-7-13-22(23)26-25(27)20-17-24(29)28(18-20)21-12-10-11-19(2)16-21/h7-8,10-14,16,20H,3-6,9,15,17-18H2,1-2H3
InChIKey JASBJZUHPSCMIG-UHFFFAOYSA-N
Mol Weight 389.54 g/mol
Molecular Formula C25H31N3O
Exact Mass 389.246713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ntUzrg1BNm
Name 4-(1-Heptyl-1H-benzimidazol-2-yl)-1-(3-methylphenyl)-2-pyrrolidinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.246712629 u
Formula C25H31N3O
InChI InChI=1S/C25H31N3O/c1-3-4-5-6-9-15-27-23-14-8-7-13-22(23)26-25(27)20-17-24(29)28(18-20)21-12-10-11-19(2)16-21/h7-8,10-14,16,20H,3-6,9,15,17-18H2,1-2H3
InChIKey JASBJZUHPSCMIG-UHFFFAOYSA-N
Molecular Weight 389.543 g/mol
SMILES C1(=NC2=CC=CC=C2N1CCCCCCC)C1CN(C=2C=C(C)C=CC2)C(C1)=O