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N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenyl-ethanamide
SpectraBase Compound ID Du81J2e19m
InChI InChI=1S/C22H28N2O/c1-18-8-6-7-9-20(18)12-15-23-16-13-22(14-17-23)24(19(2)25)21-10-4-3-5-11-21/h3-11,22H,12-17H2,1-2H3
InChIKey QTVCZKXTTIXGRA-UHFFFAOYSA-N
Mol Weight 336.48 g/mol
Molecular Formula C22H28N2O
Exact Mass 336.220164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GuRJIPpCOWV
Name 1-[2-(2-Methylphenyl)ethyl]-4-(N-acetanilido)piperidine
Comments Computed using HOSE algorithm
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Exact Mass 336.220163529 u
Formula C22H28N2O
InChI InChI=1S/C22H28N2O/c1-18-8-6-7-9-20(18)12-15-23-16-13-22(14-17-23)24(19(2)25)21-10-4-3-5-11-21/h3-11,22H,12-17H2,1-2H3
InChIKey QTVCZKXTTIXGRA-UHFFFAOYSA-N
Molecular Weight 336.479 g/mol
SMILES C1=CC=CC(=C1)N(C1CCN(CC1)CCC1=C(C=CC=C1)C)C(C)=O