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N-[1-(Trifluoromethyl)-3-undecenyl]-tosylamide
SpectraBase Compound ID FgmByZmA2HJ
InChI InChI=1S/C19H28F3NO2S/c1-3-4-5-6-7-8-9-10-11-18(19(20,21)22)23-26(24,25)17-14-12-16(2)13-15-17/h9-10,12-15,18,23H,3-8,11H2,1-2H3/b10-9+
InChIKey TTWYNZYABYKRGI-MDZDMXLPSA-N
Mol Weight 391.49 g/mol
Molecular Formula C19H28F3NO2S
Exact Mass 391.179285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DcoA3zDH7l7
Name N-[1-(Trifluoromethyl)-3-undecenyl]-tosylamide
Comments Computed using HOSE algorithm
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Exact Mass 391.179284807 u
Formula C19H28F3NO2S
InChI InChI=1S/C19H28F3NO2S/c1-3-4-5-6-7-8-9-10-11-18(19(20,21)22)23-26(24,25)17-14-12-16(2)13-15-17/h9-10,12-15,18,23H,3-8,11H2,1-2H3/b10-9+
InChIKey TTWYNZYABYKRGI-MDZDMXLPSA-N
Molecular Weight 391.493 g/mol
SMILES C1(S(=O)(=O)NC(C(F)(F)F)C\C=C\CCCCCCC)=CC=C(C=C1)C