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(2R)-2,4-DIMETHYL-2-[THIO-3,3,3-TRIFLUORO-2-(S)-METHOXY-2-PHENYLPROPIONYL]-HEXA-3,5-DIENOIC-ACID-ETHYLESTER;DIASTEREOMER-1

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(2R)-2,4-DIMETHYL-2-[THIO-3,3,3-TRIFLUORO-2-(S)-METHOXY-2-PHENYLPROPIONYL]-HEXA-3,5-DIENOIC-ACID-ETHYLESTER;DIASTEREOMER-1
SpectraBase Compound ID 8Ul7qzIjzcb
InChI InChI=1S/C20H23F3O4S/c1-6-14(3)13-18(4,16(24)27-7-2)28-17(25)19(26-5,20(21,22)23)15-11-9-8-10-12-15/h6,8-13H,1,7H2,2-5H3/b14-13+/t18-,19-/m1/s1
InChIKey CCROEMKUTCNNSW-WKWPXIAWSA-N
Mol Weight 416.46 g/mol
Molecular Formula C20H23F3O4S
Exact Mass 416.126915 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lDjPgwLeco
Name (2R)-2,4-DIMETHYL-2-[THIO-3,3,3-TRIFLUORO-2-(S)-METHOXY-2-PHENYLPROPIONYL]-HEXA-3,5-DIENOIC-ACID-ETHYLESTER;DIASTEREOMER-1
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H23F3O4S
InChI InChI=1S/C20H23F3O4S/c1-6-14(3)13-18(4,16(24)27-7-2)28-17(25)19(26-5,20(21,22)23)15-11-9-8-10-12-15/h6,8-13H,1,7H2,2-5H3/b14-13+/t18-,19-/m1/s1
InChIKey CCROEMKUTCNNSW-WKWPXIAWSA-N
Literature Reference Author J.M.MCFADDEN,G.L.FREHYWOT,C.A.TOWNSEND
Literature Reference Citation ORG.LETTERS,4,3859(2002)
Literature Reference DOI 10.1021/ol026685k
Solvent CDCl3
Source File Reference UWVN33018