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N-Phenyl-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)thiophene-2-carboxamide
SpectraBase Compound ID LuDOg2C7tmt
InChI InChI=1S/C22H24N2OS2/c25-22(21-9-5-17-27-21)24(18-6-2-1-3-7-18)19-10-13-23(14-11-19)15-12-20-8-4-16-26-20/h1-9,16-17,19H,10-15H2
InChIKey JDXNOMGMSXAYBU-UHFFFAOYSA-N
Mol Weight 396.57 g/mol
Molecular Formula C22H24N2OS2
Exact Mass 396.133006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4pp21MpS2o
Name N-Phenyl-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)thiophene-2-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 396.133005748 u
Formula C22H24N2OS2
InChI InChI=1S/C22H24N2OS2/c25-22(21-9-5-17-27-21)24(18-6-2-1-3-7-18)19-10-13-23(14-11-19)15-12-20-8-4-16-26-20/h1-9,16-17,19H,10-15H2
InChIKey JDXNOMGMSXAYBU-UHFFFAOYSA-N
Molecular Weight 396.567 g/mol
SMILES C1(N(C(C=2SC=CC2)=O)C=2C=CC=CC2)CCN(CC1)CCC=1SC=CC1