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2-Pyrrolidinone, 4-[1-(1-phenylethyl)-1H-1,3-benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 4Mjf3LTITi8
InChI InChI=1S/C26H22F3N3O/c1-17(18-8-3-2-4-9-18)32-23-13-6-5-12-22(23)30-25(32)19-14-24(33)31(16-19)21-11-7-10-20(15-21)26(27,28)29/h2-13,15,17,19H,14,16H2,1H3
InChIKey CGIPRDFXZVBGCA-UHFFFAOYSA-N
Mol Weight 449.48 g/mol
Molecular Formula C26H22F3N3O
Exact Mass 449.171497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lghfqtJbiw
Name 2-Pyrrolidinone, 4-[1-(1-phenylethyl)-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 449.171496828 u
Formula C26H22F3N3O
InChI InChI=1S/C26H22F3N3O/c1-17(18-8-3-2-4-9-18)32-23-13-6-5-12-22(23)30-25(32)19-14-24(33)31(16-19)21-11-7-10-20(15-21)26(27,28)29/h2-13,15,17,19H,14,16H2,1H3
InChIKey CGIPRDFXZVBGCA-UHFFFAOYSA-N
Molecular Weight 449.477 g/mol
SMILES C1=CC=C2N(C(C3CN(C4=CC=CC(=C4)C(F)(F)F)C(C3)=O)=NC2=C1)C(C)C1=CC=CC=C1