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2-Pyrrolidinone, 4-[1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzimidazol-2-yl]-1-(2-methylphenyl)-
SpectraBase Compound ID 7dA8rM8mg2k
InChI InChI=1S/C25H21ClFN3O/c1-16-7-2-4-11-22(16)29-14-17(13-24(29)31)25-28-21-10-3-5-12-23(21)30(25)15-18-19(26)8-6-9-20(18)27/h2-12,17H,13-15H2,1H3
InChIKey UEIFTMNHCNFUSX-UHFFFAOYSA-N
Mol Weight 433.91 g/mol
Molecular Formula C25H21ClFN3O
Exact Mass 433.135718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AfqLCaiScUB
Name 2-Pyrrolidinone, 4-[1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzimidazol-2-yl]-1-(2-methylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 433.135718170 u
Formula C25H21ClFN3O
InChI InChI=1S/C25H21ClFN3O/c1-16-7-2-4-11-22(16)29-14-17(13-24(29)31)25-28-21-10-3-5-12-23(21)30(25)15-18-19(26)8-6-9-20(18)27/h2-12,17H,13-15H2,1H3
InChIKey UEIFTMNHCNFUSX-UHFFFAOYSA-N
Molecular Weight 433.914 g/mol
SMILES C1=CC=C2N(C(C3CN(C4=CC=CC=C4C)C(=O)C3)=NC2=C1)CC1=C(C=CC=C1Cl)F