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(+/-)-(5-R/S,6-Z,8-S/R)-8-[(2,4-DINITROPHENYL)-SULFONYL]-5-HYDROXY-2,2,6-TRIMETHYLNON-6-EN-3-ONE
SpectraBase Compound ID 5D3v5zR5CM7
InChI InChI=1S/C18H24N2O8S/c1-11(15(21)10-17(22)18(3,4)5)8-12(2)29(27,28)16-7-6-13(19(23)24)9-14(16)20(25)26/h6-9,12,15,21H,10H2,1-5H3/b11-8-/t12-,15+/m0/s1
InChIKey HPXQFIOHIQQRHM-HSMZECECSA-N
Mol Weight 428.46 g/mol
Molecular Formula C18H24N2O8S
Exact Mass 428.125337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3IAvp9Lnlab
Name (+/-)-(5-R/S,6-Z,8-S/R)-8-[(2,4-DINITROPHENYL)-SULFONYL]-5-HYDROXY-2,2,6-TRIMETHYLNON-6-EN-3-ONE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24N2O8S
InChI InChI=1S/C18H24N2O8S/c1-11(15(21)10-17(22)18(3,4)5)8-12(2)29(27,28)16-7-6-13(19(23)24)9-14(16)20(25)26/h6-9,12,15,21H,10H2,1-5H3/b11-8-/t12-,15+/m0/s1
InChIKey HPXQFIOHIQQRHM-HSMZECECSA-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 428.457 g/mol
Sample ID 42464
Solvent CDCl3