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N-4-Methylphenyl-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)thiophene-2-carboxamide
SpectraBase Compound ID IKtTG1cqQfZ
InChI InChI=1S/C23H26N2OS2/c1-18-6-8-19(9-7-18)25(23(26)22-5-3-17-28-22)20-10-13-24(14-11-20)15-12-21-4-2-16-27-21/h2-9,16-17,20H,10-15H2,1H3
InChIKey JLWHCPBBBTZXFT-UHFFFAOYSA-N
Mol Weight 410.59 g/mol
Molecular Formula C23H26N2OS2
Exact Mass 410.148656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9eliAHzDIUy
Name N-4-Methylphenyl-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)thiophene-2-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 410.148655812 u
Formula C23H26N2OS2
InChI InChI=1S/C23H26N2OS2/c1-18-6-8-19(9-7-18)25(23(26)22-5-3-17-28-22)20-10-13-24(14-11-20)15-12-21-4-2-16-27-21/h2-9,16-17,20H,10-15H2,1H3
InChIKey JLWHCPBBBTZXFT-UHFFFAOYSA-N
Molecular Weight 410.594 g/mol
SMILES C(N(C1CCN(CC1)CCC=1SC=CC1)C1=CC=C(C=C1)C)(C=1SC=CC1)=O