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Benzofuran-3-carboxylic acid, 5-methoxy-2-[4-(2-methylphenyl)-1-piperazinylmethyl]-, ethyl ester
SpectraBase Compound ID DphUN3cpiWs
InChI InChI=1S/C24H28N2O4/c1-4-29-24(27)23-19-15-18(28-3)9-10-21(19)30-22(23)16-25-11-13-26(14-12-25)20-8-6-5-7-17(20)2/h5-10,15H,4,11-14,16H2,1-3H3
InChIKey XPSMLKHTQKJUAF-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C24H28N2O4
Exact Mass 408.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBWnguoZ7wf
Name Benzofuran-3-carboxylic acid, 5-methoxy-2-[4-(2-methylphenyl)-1-piperazinylmethyl]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.204907386 u
Formula C24H28N2O4
InChI InChI=1S/C24H28N2O4/c1-4-29-24(27)23-19-15-18(28-3)9-10-21(19)30-22(23)16-25-11-13-26(14-12-25)20-8-6-5-7-17(20)2/h5-10,15H,4,11-14,16H2,1-3H3
InChIKey XPSMLKHTQKJUAF-UHFFFAOYSA-N
Molecular Weight 408.498 g/mol
SMILES C1(=C(OC2=C1C=C(OC)C=C2)CN1CCN(C2=CC=CC=C2C)CC1)C(=O)OCC