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N-(3-Methylphenyl)-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)-2-methylpropanamide
SpectraBase Compound ID 7a3lxNG2UVA
InChI InChI=1S/C22H30N2OS/c1-17(2)22(25)24(20-7-4-6-18(3)16-20)19-9-12-23(13-10-19)14-11-21-8-5-15-26-21/h4-8,15-17,19H,9-14H2,1-3H3
InChIKey UCXUSHHHWMJRNX-UHFFFAOYSA-N
Mol Weight 370.56 g/mol
Molecular Formula C22H30N2OS
Exact Mass 370.207885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FOKD0kerk23
Name N-(3-Methylphenyl)-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)-2-methylpropanamide
Comments Computed using HOSE algorithm
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Exact Mass 370.207884767 u
Formula C22H30N2OS
InChI InChI=1S/C22H30N2OS/c1-17(2)22(25)24(20-7-4-6-18(3)16-20)19-9-12-23(13-10-19)14-11-21-8-5-15-26-21/h4-8,15-17,19H,9-14H2,1-3H3
InChIKey UCXUSHHHWMJRNX-UHFFFAOYSA-N
Molecular Weight 370.555 g/mol
SMILES C1(N(C2=CC(=CC=C2)C)C(C(C)C)=O)CCN(CC1)CCC=1SC=CC1