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(+/-)-(4-E,6-E,8-R/S)-3,5-DIMETHYL-8-[(2,4-DINITROPHENYL)-SULFONYL]-NONA-4,6-DIEN-3-ONE

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(+/-)-(4-E,6-E,8-R/S)-3,5-DIMETHYL-8-[(2,4-DINITROPHENYL)-SULFONYL]-NONA-4,6-DIEN-3-ONE
SpectraBase Compound ID N2Eie2uHo3
InChI InChI=1S/C17H20N2O7S/c1-5-16(20)12(3)8-11(2)9-13(4)27(25,26)17-7-6-14(18(21)22)10-15(17)19(23)24/h6-10,13H,5H2,1-4H3/b11-9+,12-8+/t13-/m0/s1
InChIKey AWHJPNIZCLITOY-RKBUMQLXSA-N
Mol Weight 396.41 g/mol
Molecular Formula C17H20N2O7S
Exact Mass 396.099122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Q20eNUboiv
Name (+/-)-(4-E,6-E,8-R/S)-3,5-DIMETHYL-8-[(2,4-DINITROPHENYL)-SULFONYL]-NONA-4,6-DIEN-3-ONE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20N2O7S
InChI InChI=1S/C17H20N2O7S/c1-5-16(20)12(3)8-11(2)9-13(4)27(25,26)17-7-6-14(18(21)22)10-15(17)19(23)24/h6-10,13H,5H2,1-4H3/b11-9+,12-8+/t13-/m0/s1
InChIKey AWHJPNIZCLITOY-RKBUMQLXSA-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 396.415 g/mol
Sample ID 42451
Solvent CDCl3