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N-(1-Benzylpiperidin-4-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide
SpectraBase Compound ID J0YuauKcEmH
InChI InChI=1S/C23H23FN2OS/c24-19-8-10-20(11-9-19)26(23(27)22-7-4-16-28-22)21-12-14-25(15-13-21)17-18-5-2-1-3-6-18/h1-11,16,21H,12-15,17H2
InChIKey XNYCBQGRHLHEHC-UHFFFAOYSA-N
Mol Weight 394.51 g/mol
Molecular Formula C23H23FN2OS
Exact Mass 394.151513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CTUa0IDSlwD
Name N-(1-Benzylpiperidin-4-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 394.151512705 u
Formula C23H23FN2OS
InChI InChI=1S/C23H23FN2OS/c24-19-8-10-20(11-9-19)26(23(27)22-7-4-16-28-22)21-12-14-25(15-13-21)17-18-5-2-1-3-6-18/h1-11,16,21H,12-15,17H2
InChIKey XNYCBQGRHLHEHC-UHFFFAOYSA-N
Molecular Weight 394.508 g/mol
SMILES C(N(C1CCN(CC=2C=CC=CC2)CC1)C1=CC=C(C=C1)F)(C=1SC=CC1)=O