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2-Pyrrolidinone, 4-[1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzimidazol-2-yl]-1-(3-methylphenyl)-
SpectraBase Compound ID GcszrpnP624
InChI InChI=1S/C27H27N3O2/c1-19-8-7-10-22(16-19)30-18-21(17-26(30)31)27-28-23-11-4-5-12-24(23)29(27)14-15-32-25-13-6-3-9-20(25)2/h3-13,16,21H,14-15,17-18H2,1-2H3
InChIKey SMFTUNQQJHZKBX-UHFFFAOYSA-N
Mol Weight 425.53 g/mol
Molecular Formula C27H27N3O2
Exact Mass 425.210327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FLuYpKou730
Name 2-Pyrrolidinone, 4-[1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzimidazol-2-yl]-1-(3-methylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.210327119 u
Formula C27H27N3O2
InChI InChI=1S/C27H27N3O2/c1-19-8-7-10-22(16-19)30-18-21(17-26(30)31)27-28-23-11-4-5-12-24(23)29(27)14-15-32-25-13-6-3-9-20(25)2/h3-13,16,21H,14-15,17-18H2,1-2H3
InChIKey SMFTUNQQJHZKBX-UHFFFAOYSA-N
Molecular Weight 425.532 g/mol
SMILES C1=CC=C2N(CCOC3=CC=CC=C3C)C(C3CN(C4=CC=CC(=C4)C)C(=O)C3)=NC2=C1