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[1-((2-FLUORO-1-METHYL-2-(PHENYLSULFANYL)-ETHYL)-CARBAMOYL)-ETHYL]-CARBAMIC-ACID-METHYLESTER
SpectraBase Compound ID 1HEJ1Uxv3M8
InChI InChI=1S/2C14H19FN2O3S/c2*1-9(12(15)21-11-7-5-4-6-8-11)16-13(18)10(2)17-14(19)20-3/h2*4-10,12H,1-3H3,(H,16,18)(H,17,19)/t2*9-,10-,12?/m00/s1
InChIKey ZFFOTQQGAKJIDJ-DTEVFVHMSA-N
Mol Weight 628.75 g/mol
Molecular Formula C28H38F2N4O6S2
Exact Mass 628.220084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ljx9foSmvN
Name [1-((2-FLUORO-1-METHYL-2-(PHENYLSULFANYL)-ETHYL)-CARBAMOYL)-ETHYL]-CARBAMIC-ACID-METHYLESTER
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38F2N4O6S2
InChI InChI=1S/2C14H19FN2O3S/c2*1-9(12(15)21-11-7-5-4-6-8-11)16-13(18)10(2)17-14(19)20-3/h2*4-10,12H,1-3H3,(H,16,18)(H,17,19)/t2*9-,10-,12?/m00/s1
InChIKey ZFFOTQQGAKJIDJ-DTEVFVHMSA-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 628.750 g/mol
Solvent CDCl3
Source File Reference UWLU22913