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N-Allyl-N-(4-fluorophenyl)-1-[2-(thiophen-2-yl)ethyl]piperidin-4-amine
SpectraBase Compound ID I3b4AbI2ul
InChI InChI=1S/C20H25FN2S/c1-2-12-23(18-7-5-17(21)6-8-18)19-9-13-22(14-10-19)15-11-20-4-3-16-24-20/h2-8,16,19H,1,9-15H2
InChIKey LLFCNWKOSYDZCC-UHFFFAOYSA-N
Mol Weight 344.49 g/mol
Molecular Formula C20H25FN2S
Exact Mass 344.172248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID n79ys0dfZ1
Name N-Allyl-N-(4-fluorophenyl)-1-[2-(thiophen-2-yl)ethyl]piperidin-4-amine
Comments Computed using HOSE algorithm
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Exact Mass 344.172248150 u
Formula C20H25FN2S
InChI InChI=1S/C20H25FN2S/c1-2-12-23(18-7-5-17(21)6-8-18)19-9-13-22(14-10-19)15-11-20-4-3-16-24-20/h2-8,16,19H,1,9-15H2
InChIKey LLFCNWKOSYDZCC-UHFFFAOYSA-N
Molecular Weight 344.492 g/mol
SMILES C1(N(C2=CC=C(C=C2)F)CC=C)CCN(CC1)CCC=1SC=CC1