John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=EBll6tTfVVT SpectraBase Spectrum ID=6sYH0CZGLqZ

(accessed ).
METHYL-(1-BENZYLSULFONYLMETHYL-2,3,3,4,4-PENTAFLUORO-1-BUTENYLAMINO)-PHENYLACETATE
SpectraBase Compound ID EBll6tTfVVT
InChI InChI=1S/C21H18F5NO4S/c1-31-19(28)17(15-10-6-3-7-11-15)27-16(18(22)21(25,26)20(23)24)13-32(29,30)12-14-8-4-2-5-9-14/h2-11,20H,12-13H2,1H3/b18-16+,27-17-
InChIKey FWFSFLQEUPRLKX-CMCJBJKRSA-N
Mol Weight 475.43 g/mol
Molecular Formula C21H18F5NO4S
Exact Mass 475.087671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6sYH0CZGLqZ
Name METHYL-(1-BENZYLSULFONYLMETHYL-2,3,3,4,4-PENTAFLUORO-1-BUTENYLAMINO)-PHENYLACETATE
Compound Number III-B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18F5NO4S
InChI InChI=1S/C21H18F5NO4S/c1-31-19(28)17(15-10-6-3-7-11-15)27-16(18(22)21(25,26)20(23)24)13-32(29,30)12-14-8-4-2-5-9-14/h2-11,20H,12-13H2,1H3/b18-16+,27-17-
InChIKey FWFSFLQEUPRLKX-CMCJBJKRSA-N
Literature Reference Author V.M.TIMOSHENKO,Y.V.NIKOLIN,M.O.LOZINSKII,Y.G.SHERMOLOVICH
Literature Reference Citation RUSS.J.ORG.CHEM.,38,756(2002)
Literature Reference DOI 10.1023/A:1019639912322
Molecular Weight 475.430 g/mol
Solvent CDCl3
Source File Reference UWMZ9555
SpectraBase Batch ID FiyGRe8b8c