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4,4,4-TRIFLUORO-2-(PHENETHYLOXYTHIOCARBONYLSULFANYLBUTYL)-PHOSPHONIC-ACID-DIETHYLESTER

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4,4,4-TRIFLUORO-2-(PHENETHYLOXYTHIOCARBONYLSULFANYLBUTYL)-PHOSPHONIC-ACID-DIETHYLESTER
SpectraBase Compound ID L4cqc9pdtYz
InChI InChI=1S/C17H24F3O4PS2/c1-3-23-25(21,24-4-2)13-15(12-17(18,19)20)27-16(26)22-11-10-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKey XNVWLJKMLMQGLF-UHFFFAOYSA-N
Mol Weight 444.46 g/mol
Molecular Formula C17H24F3O4PS2
Exact Mass 444.080573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSgFyoMSa7F
Name 4,4,4-TRIFLUORO-2-(PHENETHYLOXYTHIOCARBONYLSULFANYLBUTYL)-PHOSPHONIC-ACID-DIETHYLESTER
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H24F3O4PS2
InChI InChI=1S/C17H24F3O4PS2/c1-3-23-25(21,24-4-2)13-15(12-17(18,19)20)27-16(26)22-11-10-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKey XNVWLJKMLMQGLF-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 444.464 g/mol
Solvent CDCl3
Source File Reference UWVN32586