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(3R,4Z)-4-METHYL-6-(METHYLSULFONYL)-3-[(S)-1-(PENTAFLUOROPHENYL)-ETHOXY]-1-PHENYLHEX-4-EN-1-ONE
SpectraBase Compound ID 5HyZH1VwR0G
InChI InChI=1S/C22H21F5O4S/c1-12(9-10-32(3,29)30)16(11-15(28)14-7-5-4-6-8-14)31-13(2)17-18(23)20(25)22(27)21(26)19(17)24/h4-9,13,16H,10-11H2,1-3H3/b12-9-/t13-,16-/m0/s1
InChIKey AHQKBQMTTXGCMJ-UFDVIRIBSA-N
Mol Weight 476.46 g/mol
Molecular Formula C22H21F5O4S
Exact Mass 476.108071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7yFHR4IBq3P
Name (3R,4Z)-4-METHYL-6-(METHYLSULFONYL)-3-[(S)-1-(PENTAFLUOROPHENYL)-ETHOXY]-1-PHENYLHEX-4-EN-1-ONE
Compound Number (1'S,3R)-65
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21F5O4S
InChI InChI=1S/C22H21F5O4S/c1-12(9-10-32(3,29)30)16(11-15(28)14-7-5-4-6-8-14)31-13(2)17-18(23)20(25)22(27)21(26)19(17)24/h4-9,13,16H,10-11H2,1-3H3/b12-9-/t13-,16-/m0/s1
InChIKey AHQKBQMTTXGCMJ-UFDVIRIBSA-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
Molecular Weight 476.458 g/mol
Solvent CDCl3
Source File Reference UWLU27135