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2,5-Pyrrolidinedione, 1-(4-fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-
SpectraBase Compound ID BLNwFNnmV4V
InChI InChI=1S/C21H19F4N3O2/c22-15-4-6-16(7-5-15)28-19(29)13-18(20(28)30)27-10-8-26(9-11-27)17-3-1-2-14(12-17)21(23,24)25/h1-7,12,18H,8-11,13H2
InChIKey BDTZMOHFSHVYRE-UHFFFAOYSA-N
Mol Weight 421.4 g/mol
Molecular Formula C21H19F4N3O2
Exact Mass 421.14134 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1JBuUgo4xH
Name 2,5-Pyrrolidinedione, 1-(4-fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.141339514 u
Formula C21H19F4N3O2
InChI InChI=1S/C21H19F4N3O2/c22-15-4-6-16(7-5-15)28-19(29)13-18(20(28)30)27-10-8-26(9-11-27)17-3-1-2-14(12-17)21(23,24)25/h1-7,12,18H,8-11,13H2
InChIKey BDTZMOHFSHVYRE-UHFFFAOYSA-N
Molecular Weight 421.396 g/mol
SMILES C1=CC(C(F)(F)F)=CC(N2CCN(C3C(N(C(C3)=O)C=3C=CC(=CC3)F)=O)CC2)=C1