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N-(2-Methylphenyl)-N-([(2-thiophen-2-yl)ethyl]piperidin-1-yl)pent-4-enamide
SpectraBase Compound ID 1oeVsUbWGfy
InChI InChI=1S/C23H30N2OS/c1-3-4-11-23(26)25(22-10-6-5-8-19(22)2)20-12-15-24(16-13-20)17-14-21-9-7-18-27-21/h3,5-10,18,20H,1,4,11-17H2,2H3
InChIKey YLGRADAEJIIQBR-UHFFFAOYSA-N
Mol Weight 382.57 g/mol
Molecular Formula C23H30N2OS
Exact Mass 382.207885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1MODyCJTFza
Name N-(2-Methylphenyl)-N-{[(2-thiophen-2-yl)ethyl]piperidin-1-yl}pent-4-enamide
Comments Computed using HOSE algorithm
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Exact Mass 382.207884767 u
Formula C23H30N2OS
InChI InChI=1S/C23H30N2OS/c1-3-4-11-23(26)25(22-10-6-5-8-19(22)2)20-12-15-24(16-13-20)17-14-21-9-7-18-27-21/h3,5-10,18,20H,1,4,11-17H2,2H3
InChIKey YLGRADAEJIIQBR-UHFFFAOYSA-N
Molecular Weight 382.566 g/mol
SMILES C=1(N(C2CCN(CC2)CCC=2SC=CC2)C(CCC=C)=O)C(=CC=CC1)C