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2-Pyrrolidinone, 4-[1-[3-(3-methylphenoxy)propyl]-1H-1,3-benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID DAgGHHkb0CH
InChI InChI=1S/C28H26F3N3O2/c1-19-7-4-10-23(15-19)36-14-6-13-33-25-12-3-2-11-24(25)32-27(33)20-16-26(35)34(18-20)22-9-5-8-21(17-22)28(29,30)31/h2-5,7-12,15,17,20H,6,13-14,16,18H2,1H3
InChIKey AMKZIESUJKLZDY-UHFFFAOYSA-N
Mol Weight 493.53 g/mol
Molecular Formula C28H26F3N3O2
Exact Mass 493.197712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 218MtohXiv4
Name 2-Pyrrolidinone, 4-[1-[3-(3-methylphenoxy)propyl]-1H-1,3-benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.197711576 u
Formula C28H26F3N3O2
InChI InChI=1S/C28H26F3N3O2/c1-19-7-4-10-23(15-19)36-14-6-13-33-25-12-3-2-11-24(25)32-27(33)20-16-26(35)34(18-20)22-9-5-8-21(17-22)28(29,30)31/h2-5,7-12,15,17,20H,6,13-14,16,18H2,1H3
InChIKey AMKZIESUJKLZDY-UHFFFAOYSA-N
Molecular Weight 493.530 g/mol
SMILES C=1C=C2N=C(N(C2=CC1)CCCOC1=CC=CC(=C1)C)C1CN(C(C1)=O)C1=CC=CC(=C1)C(F)(F)F