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3-pyrrolidinecarboxamide, N-(4-chlorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID C6TLKFxmXxZ
InChI InChI=1S/C18H14ClF3N2O2/c19-13-4-6-14(7-5-13)23-17(26)11-8-16(25)24(10-11)15-3-1-2-12(9-15)18(20,21)22/h1-7,9,11H,8,10H2,(H,23,26)
InChIKey YBVXZXSKYRQSCK-UHFFFAOYSA-N
Mol Weight 382.77 g/mol
Molecular Formula C18H14ClF3N2O2
Exact Mass 382.06959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Ps2mgq6jbS
Name 3-Pyrrolidinecarboxamide, N-(4-chlorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.069589886 u
Formula C18H14ClF3N2O2
InChI InChI=1S/C18H14ClF3N2O2/c19-13-4-6-14(7-5-13)23-17(26)11-8-16(25)24(10-11)15-3-1-2-12(9-15)18(20,21)22/h1-7,9,11H,8,10H2,(H,23,26)
InChIKey YBVXZXSKYRQSCK-UHFFFAOYSA-N
Molecular Weight 382.770 g/mol
SMILES C1=CC(C(F)(F)F)=CC(N2C(CC(C2)C(NC2=CC=C(C=C2)Cl)=O)=O)=C1