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2-Pyrrolidinone, 4-(1-pentyl-1H-1,3-benzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 47tDEM6uyuD
InChI InChI=1S/C23H24F3N3O/c1-2-3-6-12-28-20-11-5-4-10-19(20)27-22(28)16-13-21(30)29(15-16)18-9-7-8-17(14-18)23(24,25)26/h4-5,7-11,14,16H,2-3,6,12-13,15H2,1H3
InChIKey VMFQRDMMQNIMKM-UHFFFAOYSA-N
Mol Weight 415.46 g/mol
Molecular Formula C23H24F3N3O
Exact Mass 415.187147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KV6NySV2Mi1
Name 2-Pyrrolidinone, 4-(1-pentyl-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 415.187146893 u
Formula C23H24F3N3O
InChI InChI=1S/C23H24F3N3O/c1-2-3-6-12-28-20-11-5-4-10-19(20)27-22(28)16-13-21(30)29(15-16)18-9-7-8-17(14-18)23(24,25)26/h4-5,7-11,14,16H,2-3,6,12-13,15H2,1H3
InChIKey VMFQRDMMQNIMKM-UHFFFAOYSA-N
Molecular Weight 415.460 g/mol
SMILES C1=CC=C2N(C(C3CC(=O)N(C4=CC=CC(=C4)C(F)(F)F)C3)=NC2=C1)CCCCC