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[1-[(1-BENZYL-2-FLUORO-2-(PHENYLSULFANYL)-ETHYL)-CARBAMOYL]-ETHYL]-CARBAMIC-ACID-METHYLESTER

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[1-[(1-BENZYL-2-FLUORO-2-(PHENYLSULFANYL)-ETHYL)-CARBAMOYL]-ETHYL]-CARBAMIC-ACID-METHYLESTER
SpectraBase Compound ID 5ll5Ul8lNv2
InChI InChI=1S/2C20H23FN2O3S/c2*1-14(22-20(25)26-2)19(24)23-17(13-15-9-5-3-6-10-15)18(21)27-16-11-7-4-8-12-16/h2*3-12,14,17-18H,13H2,1-2H3,(H,22,25)(H,23,24)/t2*14-,17+,18?/m00/s1
InChIKey RFGWIGLPSPTVCT-KMXDLMQYSA-N
Mol Weight 780.95 g/mol
Molecular Formula C40H46F2N4O6S2
Exact Mass 780.282684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wkjqnKqhAv
Name [1-[(1-BENZYL-2-FLUORO-2-(PHENYLSULFANYL)-ETHYL)-CARBAMOYL]-ETHYL]-CARBAMIC-ACID-METHYLESTER
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H46F2N4O6S2
InChI InChI=1S/2C20H23FN2O3S/c2*1-14(22-20(25)26-2)19(24)23-17(13-15-9-5-3-6-10-15)18(21)27-16-11-7-4-8-12-16/h2*3-12,14,17-18H,13H2,1-2H3,(H,22,25)(H,23,24)/t2*14-,17+,18?/m00/s1
InChIKey RFGWIGLPSPTVCT-KMXDLMQYSA-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 780.945 g/mol
Solvent CDCl3
Source File Reference UWLU22914