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4-(1-hexadecyl-1H-benzimidazol-2-yl)-1-(2-methoxyphenyl)-2-pyrrolidinone

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4-(1-hexadecyl-1H-benzimidazol-2-yl)-1-(2-methoxyphenyl)-2-pyrrolidinone
SpectraBase Compound ID 8ELLcxkGLz
InChI InChI=1S/C34H49N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-36-30-22-17-16-21-29(30)35-34(36)28-26-33(38)37(27-28)31-23-18-19-24-32(31)39-2/h16-19,21-24,28H,3-15,20,25-27H2,1-2H3
InChIKey YAUYQAQFEURWEV-UHFFFAOYSA-N
Mol Weight 531.8 g/mol
Molecular Formula C34H49N3O2
Exact Mass 531.382478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3EZEqspjR0t
Name 4-(1-Hexadecyl-1H-benzimidazol-2-yl)-1-(2-methoxyphenyl)-2-pyrrolidinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 531.382477828 u
Formula C34H49N3O2
InChI InChI=1S/C34H49N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-36-30-22-17-16-21-29(30)35-34(36)28-26-33(38)37(27-28)31-23-18-19-24-32(31)39-2/h16-19,21-24,28H,3-15,20,25-27H2,1-2H3
InChIKey YAUYQAQFEURWEV-UHFFFAOYSA-N
Molecular Weight 531.785 g/mol
SMILES C1(=NC2=CC=CC=C2N1CCCCCCCCCCCCCCCC)C1CN(C=2C(OC)=CC=CC2)C(C1)=O