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1-(2-Fluorophenyl)-4-{4-[4-(2-fluorophenyl)-1-piperazinyl]-4-oxobutanoyl}piperazine
SpectraBase Compound ID 48VxEcQVhpX
InChI InChI=1S/C24H28F2N4O2/c25-19-5-1-3-7-21(19)27-11-15-29(16-12-27)23(31)9-10-24(32)30-17-13-28(14-18-30)22-8-4-2-6-20(22)26/h1-8H,9-18H2
InChIKey AWNQHBCIWHVUOK-UHFFFAOYSA-N
Mol Weight 442.51 g/mol
Molecular Formula C24H28F2N4O2
Exact Mass 442.218032 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L8kX1WCduQT
Name 1-(2-Fluorophenyl)-4-{4-[4-(2-fluorophenyl)-1-piperazinyl]-4-oxobutanoyl}piperazine
Comments Computed using HOSE algorithm
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Exact Mass 442.218032482 u
Formula C24H28F2N4O2
InChI InChI=1S/C24H28F2N4O2/c25-19-5-1-3-7-21(19)27-11-15-29(16-12-27)23(31)9-10-24(32)30-17-13-28(14-18-30)22-8-4-2-6-20(22)26/h1-8H,9-18H2
InChIKey AWNQHBCIWHVUOK-UHFFFAOYSA-N
Molecular Weight 442.511 g/mol
SMILES C1=CC=C(N2CCN(C(CCC(N3CCN(CC3)C=3C(F)=CC=CC3)=O)=O)CC2)C(F)=C1