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(S)-(-)-Trifluoromethanesulfonic acid 3-[1-(Phenylethyl)piperodin-3-yl]phenyl ester
SpectraBase Compound ID IcpJHCy3mYh
InChI InChI=1S/C20H22F3NO3S/c21-20(22,23)28(25,26)27-19-10-4-8-17(14-19)18-9-5-12-24(15-18)13-11-16-6-2-1-3-7-16/h1-4,6-8,10,14,18H,5,9,11-13,15H2/t18-/m1/s1
InChIKey GHZCAYNGRYIDPW-GOSISDBHSA-N
Mol Weight 413.46 g/mol
Molecular Formula C20H22F3NO3S
Exact Mass 413.127249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tI2cCB2tlM
Name (S)-(-)-Trifluoromethanesulfonic acid 3-[1-(Phenylethyl)piperodin-3-yl]phenyl ester
Alternate Name(s) Trifluoromethanesulfonic acid [3-[(3S)-1-(2-phenylethyl)-3-piperidinyl]phenyl] ester [3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]phenyl] trifluoromethanesulfonate [3-[(3S)-1-(2-phenylethyl)-3-piperidyl]phenyl] trifluoromethanesulfonate [3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]phenyl] tris(fluoranyl)methanesulfonate
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Formula C20H22F3NO3S
InChI InChI=1S/C20H22F3NO3S/c21-20(22,23)28(25,26)27-19-10-4-8-17(14-19)18-9-5-12-24(15-18)13-11-16-6-2-1-3-7-16/h1-4,6-8,10,14,18H,5,9,11-13,15H2/t18-/m1/s1
InChIKey GHZCAYNGRYIDPW-GOSISDBHSA-N
Molecular Weight 413.455 g/mol
SMILES C(S(Oc1cc([C@]2(CN(CCc3ccccc3)CCC2)[H])ccc1)(=O)=O)(F)(F)F
SPLASH splash10-00dr-0509000000-f09a4c90fe3ff0e8379e
Source of Spectrum E1-37-2750-41
Wiley ID 1575248