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(+/-)-(2-R/S)-2-[(1-R/S,2-E)-1-HYDROXY-2-METHYL-4-[(2,4-DINITROPHENYL)-SULFONYL]-PENT-2-ENYL]-CYCLOHEXANONE
SpectraBase Compound ID LLPRCwLdLoY
InChI InChI=1S/C18H22N2O8S/c1-11(18(22)14-5-3-4-6-16(14)21)9-12(2)29(27,28)17-8-7-13(19(23)24)10-15(17)20(25)26/h7-10,12,14,18,22H,3-6H2,1-2H3/b11-9+/t12-,14+,18+/m1/s1
InChIKey NMHLGLCAWRNOKW-UKTQMUMXSA-N
Mol Weight 426.44 g/mol
Molecular Formula C18H22N2O8S
Exact Mass 426.109687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BoH5lUy8QW3
Name (+/-)-(2-R/S)-2-[(1-R/S,2-E)-1-HYDROXY-2-METHYL-4-[(2,4-DINITROPHENYL)-SULFONYL]-PENT-2-ENYL]-CYCLOHEXANONE
Compound Number 19-SYN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N2O8S
InChI InChI=1S/C18H22N2O8S/c1-11(18(22)14-5-3-4-6-16(14)21)9-12(2)29(27,28)17-8-7-13(19(23)24)10-15(17)20(25)26/h7-10,12,14,18,22H,3-6H2,1-2H3/b11-9+/t12-,14+,18+/m1/s1
InChIKey NMHLGLCAWRNOKW-UKTQMUMXSA-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 426.441 g/mol
Sample ID 42467
Solvent CDCl3