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N-[2-(1-Benzylpiperidin-4-yl)ethyl]-7-methoxy-2-oxo-2H-chromene-3-carboxamide
SpectraBase Compound ID AIZlvlFVLl6
InChI InChI=1S/C25H28N2O4/c1-30-21-8-7-20-15-22(25(29)31-23(20)16-21)24(28)26-12-9-18-10-13-27(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,28)
InChIKey BOYUHPHGPUPZAN-UHFFFAOYSA-N
Mol Weight 420.51 g/mol
Molecular Formula C25H28N2O4
Exact Mass 420.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lTMwSA9nwR
Name N-[2-(1-Benzylpiperidin-4-yl)ethyl]-7-methoxy-2-oxo-2H-chromene-3-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 420.204907386 u
Formula C25H28N2O4
InChI InChI=1S/C25H28N2O4/c1-30-21-8-7-20-15-22(25(29)31-23(20)16-21)24(28)26-12-9-18-10-13-27(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,28)
InChIKey BOYUHPHGPUPZAN-UHFFFAOYSA-N
Molecular Weight 420.509 g/mol
SMILES C=1(C(OC2=C(C1)C=CC(OC)=C2)=O)C(=O)NCCC1CCN(CC1)CC=1C=CC=CC1