For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Pyrrolidinone, 4-[1-[3-phenyl-2-propenyl]-1H-1,3-benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID IfMUQVyRkuz
InChI InChI=1S/C27H22F3N3O/c28-27(29,30)21-11-6-12-22(17-21)33-18-20(16-25(33)34)26-31-23-13-4-5-14-24(23)32(26)15-7-10-19-8-2-1-3-9-19/h1-14,17,20H,15-16,18H2/b10-7-
InChIKey WROUATONACKNSI-YFHOEESVSA-N
Mol Weight 461.49 g/mol
Molecular Formula C27H22F3N3O
Exact Mass 461.171497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LaO09eJ22HK
Name 2-Pyrrolidinone, 4-[1-[3-phenyl-2-propenyl]-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 461.171496828 u
Formula C27H22F3N3O
InChI InChI=1S/C27H22F3N3O/c28-27(29,30)21-11-6-12-22(17-21)33-18-20(16-25(33)34)26-31-23-13-4-5-14-24(23)32(26)15-7-10-19-8-2-1-3-9-19/h1-14,17,20H,15-16,18H2/b10-7-
InChIKey WROUATONACKNSI-YFHOEESVSA-N
Molecular Weight 461.488 g/mol
SMILES C=1C=C2N=C(N(C2=CC1)C\C=C/C1=CC=CC=C1)C1CN(C2=CC=CC(=C2)C(F)(F)F)C(C1)=O