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N-(4-Fluorophenyl)-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)-pent-4-enamide
SpectraBase Compound ID Ehnl1z7n0UZ
InChI InChI=1S/C22H27FN2OS/c1-2-3-6-22(26)25(19-9-7-18(23)8-10-19)20-11-14-24(15-12-20)16-13-21-5-4-17-27-21/h2,4-5,7-10,17,20H,1,3,6,11-16H2
InChIKey ZFFIMEMRAHNLIU-UHFFFAOYSA-N
Mol Weight 386.53 g/mol
Molecular Formula C22H27FN2OS
Exact Mass 386.182813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8hs5UU8iVxI
Name N-(4-Fluorophenyl)-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)-pent-4-enamide
Comments Computed using HOSE algorithm
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Exact Mass 386.182812833 u
Formula C22H27FN2OS
InChI InChI=1S/C22H27FN2OS/c1-2-3-6-22(26)25(19-9-7-18(23)8-10-19)20-11-14-24(15-12-20)16-13-21-5-4-17-27-21/h2,4-5,7-10,17,20H,1,3,6,11-16H2
InChIKey ZFFIMEMRAHNLIU-UHFFFAOYSA-N
Molecular Weight 386.529 g/mol
SMILES C1(N(C=2C=CC(=CC2)F)C(CCC=C)=O)CCN(CC1)CCC=1SC=CC1