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1-(4-methoxybenzoyl)-4-[(2E)-3-phenyl-2-propenyl]piperazine
SpectraBase Compound ID 2uKeV7adSal
InChI InChI=1S/C21H24N2O2/c1-25-20-11-9-19(10-12-20)21(24)23-16-14-22(15-17-23)13-5-8-18-6-3-2-4-7-18/h2-12H,13-17H2,1H3/b8-5+
InChIKey PGYBWKFLEJNVSU-VMPITWQZSA-N
Mol Weight 336.44 g/mol
Molecular Formula C21H24N2O2
Exact Mass 336.183778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2z0Nh01UfuJ
Name 1-(4-Methoxybenzoyl)-4-[(2E)-3-phenyl-2-propenyl]piperazine
Comments Computed using HOSE algorithm
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Exact Mass 336.183778019 u
Formula C21H24N2O2
InChI InChI=1S/C21H24N2O2/c1-25-20-11-9-19(10-12-20)21(24)23-16-14-22(15-17-23)13-5-8-18-6-3-2-4-7-18/h2-12H,13-17H2,1H3/b8-5+
InChIKey PGYBWKFLEJNVSU-VMPITWQZSA-N
Molecular Weight 336.435 g/mol
SMILES C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)(C=1C=CC(OC)=CC1)=O