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N-(4-Methylphenyl)-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)propanamide
SpectraBase Compound ID CFoHA1pKl4p
InChI InChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-6-17(2)7-9-18)19-10-13-22(14-11-19)15-12-20-5-4-16-25-20/h4-9,16,19H,3,10-15H2,1-2H3
InChIKey YUGYWELFUOKHLB-UHFFFAOYSA-N
Mol Weight 356.53 g/mol
Molecular Formula C21H28N2OS
Exact Mass 356.192235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1MGwBohJ1j3
Name N-(4-Methylphenyl)-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)propanamide
Comments Computed using HOSE algorithm
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Exact Mass 356.192234703 u
Formula C21H28N2OS
InChI InChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-6-17(2)7-9-18)19-10-13-22(14-11-19)15-12-20-5-4-16-25-20/h4-9,16,19H,3,10-15H2,1-2H3
InChIKey YUGYWELFUOKHLB-UHFFFAOYSA-N
Molecular Weight 356.528 g/mol
SMILES C1(N(C=2C=CC(=CC2)C)C(CC)=O)CCN(CC1)CCC=1SC=CC1