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[1-[(2-FLUORO-2-(PHENYLSULFANYL)-ETHYL)-CARBAMOYL]-ETHYL]-CARBAMIC-ACID-METHYLESTER
SpectraBase Compound ID 5tkKkdRwpXo
InChI InChI=1S/2C13H17FN2O3S/c2*1-9(16-13(18)19-2)12(17)15-8-11(14)20-10-6-4-3-5-7-10/h2*3-7,9,11H,8H2,1-2H3,(H,15,17)(H,16,18)/t2*9-,11?/m00/s1
InChIKey RVMOKXJQKFGBHT-KMVGHUQESA-N
Mol Weight 600.7 g/mol
Molecular Formula C26H34F2N4O6S2
Exact Mass 600.188783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OcOWhzrSiL
Name [1-[(2-FLUORO-2-(PHENYLSULFANYL)-ETHYL)-CARBAMOYL]-ETHYL]-CARBAMIC-ACID-METHYLESTER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H34F2N4O6S2
InChI InChI=1S/2C13H17FN2O3S/c2*1-9(16-13(18)19-2)12(17)15-8-11(14)20-10-6-4-3-5-7-10/h2*3-7,9,11H,8H2,1-2H3,(H,15,17)(H,16,18)/t2*9-,11?/m00/s1
InChIKey RVMOKXJQKFGBHT-KMVGHUQESA-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 600.696 g/mol
Solvent CDCl3
Source File Reference UWLU22906