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1-(4-(4-(Benzo[D][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethan-1-one
SpectraBase Compound ID BIxQh1Jy8ha
InChI InChI=1S/C20H20N2O4/c1-14(23)15-2-5-17(6-3-15)21-8-10-22(11-9-21)20(24)16-4-7-18-19(12-16)26-13-25-18/h2-7,12H,8-11,13H2,1H3
InChIKey DMJGPASMZSNEAZ-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C20H20N2O4
Exact Mass 352.142307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6WA0XH1xREX
Name 1-(4-(4-(Benzo[D][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethan-1-one
Comments Computed using HOSE algorithm
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Exact Mass 352.142307128 u
Formula C20H20N2O4
InChI InChI=1S/C20H20N2O4/c1-14(23)15-2-5-17(6-3-15)21-8-10-22(11-9-21)20(24)16-4-7-18-19(12-16)26-13-25-18/h2-7,12H,8-11,13H2,1H3
InChIKey DMJGPASMZSNEAZ-UHFFFAOYSA-N
Molecular Weight 352.390 g/mol
SMILES C(C)(=O)C1=CC=C(C=C1)N1CCN(CC1)C(=O)C1=CC=C2OCOC2=C1