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N-(1,1,1-Trifluoro-3-(dodecanylsulfanyl)propan-2-yl)toluenesulfonamide

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N-(1,1,1-Trifluoro-3-(dodecanylsulfanyl)propan-2-yl)toluenesulfonamide
SpectraBase Compound ID 6RqVtxrvEEB
InChI InChI=1S/C22H36F3NO2S2/c1-3-4-5-6-7-8-9-10-11-12-17-29-18-21(22(23,24)25)26-30(27,28)20-15-13-19(2)14-16-20/h13-16,21,26H,3-12,17-18H2,1-2H3
InChIKey BHVLJYGHWCCTTE-UHFFFAOYSA-N
Mol Weight 467.7 g/mol
Molecular Formula C22H36F3NO2S2
Exact Mass 467.213956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8yeoACcguGg
Name N-(1,1,1-Trifluoro-3-(dodecanylsulfanyl)propan-2-yl)toluenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 467.213956238 u
Formula C22H36F3NO2S2
InChI InChI=1S/C22H36F3NO2S2/c1-3-4-5-6-7-8-9-10-11-12-17-29-18-21(22(23,24)25)26-30(27,28)20-15-13-19(2)14-16-20/h13-16,21,26H,3-12,17-18H2,1-2H3
InChIKey BHVLJYGHWCCTTE-UHFFFAOYSA-N
Molecular Weight 467.650 g/mol
SMILES C1(=CC=C(C=C1)S(=O)(=O)NC(C(F)(F)F)CSCCCCCCCCCCCC)C