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Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-(2-thienylcarbonyl)-
SpectraBase Compound ID 2iuJwsEm05N
InChI InChI=1S/C22H20F2N2OS/c23-18-7-3-16(4-8-18)21(17-5-9-19(24)10-6-17)25-11-13-26(14-12-25)22(27)20-2-1-15-28-20/h1-10,15,21H,11-14H2
InChIKey BOYLFUZMPFVYNA-UHFFFAOYSA-N
Mol Weight 398.47 g/mol
Molecular Formula C22H20F2N2OS
Exact Mass 398.126441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6lTbnxybEHC
Name Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-(2-thienylcarbonyl)-
Comments Computed using HOSE algorithm
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Exact Mass 398.126440771 u
Formula C22H20F2N2OS
InChI InChI=1S/C22H20F2N2OS/c23-18-7-3-16(4-8-18)21(17-5-9-19(24)10-6-17)25-11-13-26(14-12-25)22(27)20-2-1-15-28-20/h1-10,15,21H,11-14H2
InChIKey BOYLFUZMPFVYNA-UHFFFAOYSA-N
Molecular Weight 398.472 g/mol
SMILES C(N1CCN(CC1)C(C=1C=CC(F)=CC1)C1=CC=C(F)C=C1)(=O)C=1SC=CC1