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(1S,3S,4Z)+(1R,3S,4Z)-1-CYCLOPROPYL-4-METHYL-6-(METHYLSULFONYL)-HEX-4-EN-1,3-DIYL-BIS-[[(R)-ALPHA-METHOXY-ALPHA-TRIFLUOROMETHYLPHENYL]-ACETATE]

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(1S,3S,4Z)+(1R,3S,4Z)-1-CYCLOPROPYL-4-METHYL-6-(METHYLSULFONYL)-HEX-4-EN-1,3-DIYL-BIS-[[(R)-ALPHA-METHOXY-ALPHA-TRIFLUOROMETHYLPHENYL]-ACETATE]
SpectraBase Compound ID R85B0Pj3Lt
InChI InChI=1S/2C31H34F6O8S/c2*1-20(17-18-46(4,40)41)24(44-26(38)28(42-2,30(32,33)34)22-11-7-5-8-12-22)19-25(21-15-16-21)45-27(39)29(43-3,31(35,36)37)23-13-9-6-10-14-23/h2*5-14,17,21,24-25H,15-16,18-19H2,1-4H3/b2*20-17-/t24-,25+,28?,29?;24-,25-,28?,29?/m00/s1
InChIKey FTUJHNYWOHTKPJ-WDPGQTOVSA-N
Mol Weight 1361.3 g/mol
Molecular Formula C62H68F12O16S2
Exact Mass 1360.375716 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1w8TYnAM3IJ
Name (1S,3S,4Z)+(1R,3S,4Z)-1-CYCLOPROPYL-4-METHYL-6-(METHYLSULFONYL)-HEX-4-EN-1,3-DIYL-BIS-[[(R)-ALPHA-METHOXY-ALPHA-TRIFLUOROMETHYLPHENYL]-ACETATE]
Compound Number 88
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H68F12O16S2
InChI InChI=1S/2C31H34F6O8S/c2*1-20(17-18-46(4,40)41)24(44-26(38)28(42-2,30(32,33)34)22-11-7-5-8-12-22)19-25(21-15-16-21)45-27(39)29(43-3,31(35,36)37)23-13-9-6-10-14-23/h2*5-14,17,21,24-25H,15-16,18-19H2,1-4H3/b2*20-17-/t24-,25+,28?,29?;24-,25-,28?,29?/m00/s1
InChIKey FTUJHNYWOHTKPJ-WDPGQTOVSA-N
Literature Reference Author V.NARKEVITCH,S.MEGEVAND,K.SCHENK,P.VOGEL
Literature Reference Citation J.ORG.CHEM.,66,5080(2001)
Literature Reference DOI 10.1021/jo0101712
Solvent CDCl3
Source File Reference UWLU27170