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1-piperazinecarboxamide, 4-[bis(4-fluorophenyl)methyl]-N-phenyl-
SpectraBase Compound ID AnRQZ9lU8K5
InChI InChI=1S/C24H23F2N3O/c25-20-10-6-18(7-11-20)23(19-8-12-21(26)13-9-19)28-14-16-29(17-15-28)24(30)27-22-4-2-1-3-5-22/h1-13,23H,14-17H2,(H,27,30)
InChIKey DXGOCKUYFYQXJH-UHFFFAOYSA-N
Mol Weight 407.46 g/mol
Molecular Formula C24H23F2N3O
Exact Mass 407.180919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2eZrmtHIZo4
Name 1-Piperazinecarboxamide, 4-[bis(4-fluorophenyl)methyl]-N-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 407.180918698 u
Formula C24H23F2N3O
InChI InChI=1S/C24H23F2N3O/c25-20-10-6-18(7-11-20)23(19-8-12-21(26)13-9-19)28-14-16-29(17-15-28)24(30)27-22-4-2-1-3-5-22/h1-13,23H,14-17H2,(H,27,30)
InChIKey DXGOCKUYFYQXJH-UHFFFAOYSA-N
Molecular Weight 407.465 g/mol
SMILES N(C(N1CCN(CC1)C(C1=CC=C(C=C1)F)C1=CC=C(C=C1)F)=O)C=1C=CC=CC1