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2-ACETYLAMINO-2-(4,4,4-TRIFLUORO-2-PHENETHYLOXYTHIOCARBONYLSULFANYL-BUTYL)-MALONIC-ACID-DIETHYLESTER
SpectraBase Compound ID AS5LyIEAF2o
InChI InChI=1S/C22H28F3NO6S2/c1-4-30-18(28)21(26-15(3)27,19(29)31-5-2)13-17(14-22(23,24)25)34-20(33)32-12-11-16-9-7-6-8-10-16/h6-10,17H,4-5,11-14H2,1-3H3,(H,26,27)
InChIKey VTZNNKJYHGONQE-UHFFFAOYSA-N
Mol Weight 523.58 g/mol
Molecular Formula C22H28F3NO6S2
Exact Mass 523.131014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8XSWJuEMcy8
Name 2-ACETYLAMINO-2-(4,4,4-TRIFLUORO-2-PHENETHYLOXYTHIOCARBONYLSULFANYL-BUTYL)-MALONIC-ACID-DIETHYLESTER
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28F3NO6S2
InChI InChI=1S/C22H28F3NO6S2/c1-4-30-18(28)21(26-15(3)27,19(29)31-5-2)13-17(14-22(23,24)25)34-20(33)32-12-11-16-9-7-6-8-10-16/h6-10,17H,4-5,11-14H2,1-3H3,(H,26,27)
InChIKey VTZNNKJYHGONQE-UHFFFAOYSA-N
Literature Reference Author F.BERTRAND,V.PEVERE,B.QUICLET-SIRE,S.Z.ZARD
Literature Reference Citation ORG.LETTERS,3,1069(2001)
Literature Reference DOI 10.1021/ol0156446
Molecular Weight 523.583 g/mol
Solvent CDCl3
Source File Reference UWVN32588