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N-(3-Methylphenyl)-N-(1-(2-phenylethyl)piperidin-4-yl)pent-4-enamide
SpectraBase Compound ID Ea6hqXDxE9l
InChI InChI=1S/C25H32N2O/c1-3-4-13-25(28)27(24-12-8-9-21(2)20-24)23-15-18-26(19-16-23)17-14-22-10-6-5-7-11-22/h3,5-12,20,23H,1,4,13-19H2,2H3
InChIKey YIAACBVSXRTPGB-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C25H32N2O
Exact Mass 376.251464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KFij3edLv42
Name N-(3-Methylphenyl)-N-(1-(2-phenylethyl)piperidin-4-yl)pent-4-enamide
Comments Computed using HOSE algorithm
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Exact Mass 376.251463657 u
Formula C25H32N2O
InChI InChI=1S/C25H32N2O/c1-3-4-13-25(28)27(24-12-8-9-21(2)20-24)23-15-18-26(19-16-23)17-14-22-10-6-5-7-11-22/h3,5-12,20,23H,1,4,13-19H2,2H3
InChIKey YIAACBVSXRTPGB-UHFFFAOYSA-N
Molecular Weight 376.544 g/mol
SMILES C1(N(C=2C=C(C=CC2)C)C(CCC=C)=O)CCN(CC1)CCC=1C=CC=CC1