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N-(2-Methylphenyl)-N-([(2-thiophen-2-yl)ethyl]piperidin-1-yl)hexanamide
SpectraBase Compound ID HToP78a1Jor
InChI InChI=1S/C24H34N2OS/c1-3-4-5-12-24(27)26(23-11-7-6-9-20(23)2)21-13-16-25(17-14-21)18-15-22-10-8-19-28-22/h6-11,19,21H,3-5,12-18H2,1-2H3
InChIKey VROSZNYFANBFLN-UHFFFAOYSA-N
Mol Weight 398.6 g/mol
Molecular Formula C24H34N2OS
Exact Mass 398.239185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJHhsTBccgO
Name N-(2-Methylphenyl)-N-{[(2-thiophen-2-yl)ethyl]piperidin-1-yl}hexanamide
Comments Computed using HOSE algorithm
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Exact Mass 398.239184896 u
Formula C24H34N2OS
InChI InChI=1S/C24H34N2OS/c1-3-4-5-12-24(27)26(23-11-7-6-9-20(23)2)21-13-16-25(17-14-21)18-15-22-10-8-19-28-22/h6-11,19,21H,3-5,12-18H2,1-2H3
InChIKey VROSZNYFANBFLN-UHFFFAOYSA-N
Molecular Weight 398.609 g/mol
SMILES C=1(N(C2CCN(CC2)CCC=2SC=CC2)C(CCCCC)=O)C(=CC=CC1)C