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(R)-1-Tosyl-N-(3-(trifluoromethyl)phenyl)piperidine-2-carboxamide
SpectraBase Compound ID ITZlsJb57II
InChI InChI=1S/C20H21F3N2O3S/c1-14-8-10-17(11-9-14)29(27,28)25-12-3-2-7-18(25)19(26)24-16-6-4-5-15(13-16)20(21,22)23/h4-6,8-11,13,18H,2-3,7,12H2,1H3,(H,24,26)/t18-/m1/s1
InChIKey CGZFHPSPVVPHKF-GOSISDBHSA-N
Mol Weight 426.45 g/mol
Molecular Formula C20H21F3N2O3S
Exact Mass 426.122498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HKPcCG0BaYs
Name (R)-1-Tosyl-N-(3-(trifluoromethyl)phenyl)piperidine-2-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 426.122498204 u
Formula C20H21F3N2O3S
InChI InChI=1S/C20H21F3N2O3S/c1-14-8-10-17(11-9-14)29(27,28)25-12-3-2-7-18(25)19(26)24-16-6-4-5-15(13-16)20(21,22)23/h4-6,8-11,13,18H,2-3,7,12H2,1H3,(H,24,26)/t18-/m1/s1
InChIKey CGZFHPSPVVPHKF-GOSISDBHSA-N
Molecular Weight 426.454 g/mol
SMILES [C@@]1(N(CCCC1)S(=O)(=O)C1=CC=C(C)C=C1)(C(=O)NC1=CC(=CC=C1)C(F)(F)F)[H]