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(S)-(-)-Trifluoromethanesulfonic acid 5-(1-Propylpiperodin-3-yl)-2-[[(trifluoromethyl)sulfonyl]oxy]phenyl ester
SpectraBase Compound ID AO4ZUzjmTKP
InChI InChI=1S/C16H19F6NO6S2/c1-2-7-23-8-3-4-12(10-23)11-5-6-13(28-30(24,25)15(17,18)19)14(9-11)29-31(26,27)16(20,21)22/h5-6,9,12H,2-4,7-8,10H2,1H3/t12-/m1/s1
InChIKey DDEDFIYGQWYHBZ-GFCCVEGCSA-N
Mol Weight 499.44 g/mol
Molecular Formula C16H19F6NO6S2
Exact Mass 499.055799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AaTZtNzYx31
Name (S)-(-)-Trifluoromethanesulfonic acid 5-(1-Propylpiperodin-3-yl)-2-[[(trifluoromethyl)sulfonyl]oxy]phenyl ester
Alternate Name(s) Trifluoromethanesulfonic acid [4-[(3S)-1-propyl-3-piperidinyl]-2-(trifluoromethylsulfonyloxy)phenyl] ester [4-[(3S)-1-propylpiperidin-3-yl]-2-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate [4-[(3S)-1-propyl-3-piperidyl]-2-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate [4-[(3S)-1-propylpiperidin-3-yl]-2-(trifluoromethylsulfonyloxy)phenyl] tris(fluoranyl)methanesulfonate
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Formula C16H19F6NO6S2
InChI InChI=1S/C16H19F6NO6S2/c1-2-7-23-8-3-4-12(10-23)11-5-6-13(28-30(24,25)15(17,18)19)14(9-11)29-31(26,27)16(20,21)22/h5-6,9,12H,2-4,7-8,10H2,1H3/t12-/m1/s1
InChIKey DDEDFIYGQWYHBZ-GFCCVEGCSA-N
Molecular Weight 499.439 g/mol
SMILES C(S(Oc1c(OS(C(F)(F)F)(=O)=O)ccc(c1)[C@]1(CN(CCC)CCC1)[H])(=O)=O)(F)(F)F
SPLASH splash10-00di-0010900000-30832f085ee39a90f3b6
Source of Spectrum E1-37-2750-44
Wiley ID 1575245