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[1-[(2-FLUORO-2-(PHENYLSULFANYL)-ETHYL)-CARBAMOYL]-ETHYL]-CARBAMIC-ACID-TERT.-BUTYLESTER
SpectraBase Compound ID E52FNEQcBAs
InChI InChI=1S/2C16H23FN2O3S/c2*1-11(19-15(21)22-16(2,3)4)14(20)18-10-13(17)23-12-8-6-5-7-9-12/h2*5-9,11,13H,10H2,1-4H3,(H,18,20)(H,19,21)/t2*11-,13?/m00/s1
InChIKey OMZGQZCPPIXSDG-HVLQTELESA-N
Mol Weight 684.86 g/mol
Molecular Formula C32H46F2N4O6S2
Exact Mass 684.282684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGev04skcaC
Name [1-[(2-FLUORO-2-(PHENYLSULFANYL)-ETHYL)-CARBAMOYL]-ETHYL]-CARBAMIC-ACID-TERT.-BUTYLESTER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H46F2N4O6S2
InChI InChI=1S/2C16H23FN2O3S/c2*1-11(19-15(21)22-16(2,3)4)14(20)18-10-13(17)23-12-8-6-5-7-9-12/h2*5-9,11,13H,10H2,1-4H3,(H,18,20)(H,19,21)/t2*11-,13?/m00/s1
InChIKey OMZGQZCPPIXSDG-HVLQTELESA-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 684.857 g/mol
Solvent CDCl3
Source File Reference UWLU22903