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Piperazine, 1-(diphenylmethyl)-4-[[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl]-
SpectraBase Compound ID IPhiJghC11N
InChI InChI=1S/C27H26FN3O2/c28-23-13-11-20(12-14-23)24-19-25(33-29-24)27(32)31-17-15-30(16-18-31)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25-26H,15-19H2
InChIKey QWRBQFCSOXAQIB-UHFFFAOYSA-N
Mol Weight 443.52 g/mol
Molecular Formula C27H26FN3O2
Exact Mass 443.200905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GWh5j2Qqr2K
Name Piperazine, 1-(diphenylmethyl)-4-[[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl]-
Comments Computed using HOSE algorithm
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Exact Mass 443.200905250 u
Formula C27H26FN3O2
InChI InChI=1S/C27H26FN3O2/c28-23-13-11-20(12-14-23)24-19-25(33-29-24)27(32)31-17-15-30(16-18-31)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25-26H,15-19H2
InChIKey QWRBQFCSOXAQIB-UHFFFAOYSA-N
Molecular Weight 443.522 g/mol
SMILES C1(C(N2CCN(CC2)C(C=2C=CC=CC2)C=2C=CC=CC2)=O)ON=C(C1)C=1C=CC(=CC1)F