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2-(1,3-DIOXO-1,3-DIHYDROISOINDOL-2-YL)-N-[2-FLUORO-2-(PHENYLSULFANYL)-ETHYL]-PROPIONAMIDE
SpectraBase Compound ID HHi1mWBNm5v
InChI InChI=1S/2C19H17FN2O3S/c2*1-12(22-18(24)14-9-5-6-10-15(14)19(22)25)17(23)21-11-16(20)26-13-7-3-2-4-8-13/h2*2-10,12,16H,11H2,1H3,(H,21,23)/t2*12-,16?/m00/s1
InChIKey DMUYYOISPRPFBW-FZMONOAXSA-N
Mol Weight 744.83 g/mol
Molecular Formula C38H34F2N4O6S2
Exact Mass 744.188783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 15BAduRLOeC
Name 2-(1,3-DIOXO-1,3-DIHYDROISOINDOL-2-YL)-N-[2-FLUORO-2-(PHENYLSULFANYL)-ETHYL]-PROPIONAMIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H34F2N4O6S2
InChI InChI=1S/2C19H17FN2O3S/c2*1-12(22-18(24)14-9-5-6-10-15(14)19(22)25)17(23)21-11-16(20)26-13-7-3-2-4-8-13/h2*2-10,12,16H,11H2,1H3,(H,21,23)/t2*12-,16?/m00/s1
InChIKey DMUYYOISPRPFBW-FZMONOAXSA-N
Literature Reference Author S.C.ANNEDI,W.LI,S.SAMSON,L.P.KOTRA
Literature Reference Citation J.ORG.CHEM.,68,1043(2003)
Literature Reference DOI 10.1021/jo026310c
Molecular Weight 744.828 g/mol
Solvent CDCl3
Source File Reference UWLU22907