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2-Pyrrolidinone, 4-[1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID Igm0EFVfFOF
InChI InChI=1S/C27H24F3N3O2/c1-18-6-4-9-22(14-18)35-13-12-32-24-11-3-2-10-23(24)31-26(32)19-15-25(34)33(17-19)21-8-5-7-20(16-21)27(28,29)30/h2-11,14,16,19H,12-13,15,17H2,1H3
InChIKey BTHVSHIGZXGXPL-UHFFFAOYSA-N
Mol Weight 479.5 g/mol
Molecular Formula C27H24F3N3O2
Exact Mass 479.182062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7qoLCxAR5w
Name 2-Pyrrolidinone, 4-[1-[2-(3-methylphenoxy)ethyl]-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 479.182061512 u
Formula C27H24F3N3O2
InChI InChI=1S/C27H24F3N3O2/c1-18-6-4-9-22(14-18)35-13-12-32-24-11-3-2-10-23(24)31-26(32)19-15-25(34)33(17-19)21-8-5-7-20(16-21)27(28,29)30/h2-11,14,16,19H,12-13,15,17H2,1H3
InChIKey BTHVSHIGZXGXPL-UHFFFAOYSA-N
Molecular Weight 479.503 g/mol
SMILES C=1C=C2N=C(N(C2=CC1)CCOC1=CC(=CC=C1)C)C1CN(C(C1)=O)C1=CC=CC(=C1)C(F)(F)F