John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3hJK2Lc0S7e SpectraBase Spectrum ID=1KQemO1kCmL

(accessed ).
(S(S),3S)-ETHYL-N-(PARA-TOLYLSULFINYL)-3-AMINO-2,2-DIFLUORO-3-(PARA-TRIFLUOROMETHYL-PHENYL)-PROPANOATE
SpectraBase Compound ID 3hJK2Lc0S7e
InChI InChI=1S/C19H18F5NO3S/c1-3-28-17(26)18(20,21)16(13-6-8-14(9-7-13)19(22,23)24)25-29(27)15-10-4-12(2)5-11-15/h4-11,16,25H,3H2,1-2H3/t16-,29?/m1/s1
InChIKey RSIFBWBLTQCOOA-VSMAWVSWSA-N
Mol Weight 435.41 g/mol
Molecular Formula C19H18F5NO3S
Exact Mass 435.092757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1KQemO1kCmL
Name (S(S),3S)-ETHYL-N-(PARA-TOLYLSULFINYL)-3-AMINO-2,2-DIFLUORO-3-(PARA-TRIFLUOROMETHYL-PHENYL)-PROPANOATE
Compound Number 5E
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18F5NO3S
InChI InChI=1S/C19H18F5NO3S/c1-3-28-17(26)18(20,21)16(13-6-8-14(9-7-13)19(22,23)24)25-29(27)15-10-4-12(2)5-11-15/h4-11,16,25H,3H2,1-2H3/t16-,29?/m1/s1
InChIKey RSIFBWBLTQCOOA-VSMAWVSWSA-N
Literature Reference Author A.SOROCHINSKY,N.VOLOSHIN,A.MARKOVSKY,M.BELIK,N.YASUDA,H.UEKU SA,T.ONO,D.O.BERBASO
Literature Reference Citation J.ORG.CHEM.,68,7448(2003)
Literature Reference DOI 10.1021/jo030082k
Molecular Weight 435.409 g/mol
Solvent CDCl3
Source File Reference UWMS26373
SpectraBase Batch ID FW5jM3Ly59u