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(+/-)-(5-R/S,6-Z,8-S/R)-5-(BENZYLOXY)-8-(BUTYLSULFONYL)-2,2,6-TRIMETHYLNON-6-EN-3-ONE
SpectraBase Compound ID LZdcmH5aqbP
InChI InChI=1S/C23H36O4S/c1-7-8-14-28(25,26)19(3)15-18(2)21(16-22(24)23(4,5)6)27-17-20-12-10-9-11-13-20/h9-13,15,19,21H,7-8,14,16-17H2,1-6H3/b18-15-/t19-,21+/m0/s1
InChIKey FFERNSUBPBWQJD-QAYBODEISA-N
Mol Weight 408.6 g/mol
Molecular Formula C23H36O4S
Exact Mass 408.233431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xJQJS7UeMp
Name (+/-)-(5-R/S,6-Z,8-S/R)-5-(BENZYLOXY)-8-(BUTYLSULFONYL)-2,2,6-TRIMETHYLNON-6-EN-3-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H36O4S
InChI InChI=1S/C23H36O4S/c1-7-8-14-28(25,26)19(3)15-18(2)21(16-22(24)23(4,5)6)27-17-20-12-10-9-11-13-20/h9-13,15,19,21H,7-8,14,16-17H2,1-6H3/b18-15-/t19-,21+/m0/s1
InChIKey FFERNSUBPBWQJD-QAYBODEISA-N
Literature Reference Author L.C.BOUCHEZ,C.CRAITA,P.VOGEL
Literature Reference Citation ORG.LETTERS,7,897(2005)
Literature Reference DOI 10.1021/ol050006z
Molecular Weight 408.596 g/mol
Sample ID 42460
Solvent CDCl3