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Piperazine, 1-[3-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoyl]-4-[(4-fluorophenyl)methyl]-
SpectraBase Compound ID Bw3qnAnmmvk
InChI InChI=1S/C24H26FN3O3/c1-17-23(18(2)31-26-17)16-30-22-5-3-4-20(14-22)24(29)28-12-10-27(11-13-28)15-19-6-8-21(25)9-7-19/h3-9,14H,10-13,15-16H2,1-2H3
InChIKey OXZLTUFEVUFQLR-UHFFFAOYSA-N
Mol Weight 423.49 g/mol
Molecular Formula C24H26FN3O3
Exact Mass 423.19582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxwxSgt7XSO
Name Piperazine, 1-[3-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoyl]-4-[(4-fluorophenyl)methyl]-
Comments Computed using HOSE algorithm
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Exact Mass 423.195819869 u
Formula C24H26FN3O3
InChI InChI=1S/C24H26FN3O3/c1-17-23(18(2)31-26-17)16-30-22-5-3-4-20(14-22)24(29)28-12-10-27(11-13-28)15-19-6-8-21(25)9-7-19/h3-9,14H,10-13,15-16H2,1-2H3
InChIKey OXZLTUFEVUFQLR-UHFFFAOYSA-N
Molecular Weight 423.488 g/mol
SMILES C1(=C(ON=C1C)C)COC1=CC(C(=O)N2CCN(CC3=CC=C(C=C3)F)CC2)=CC=C1