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(+/-)-(3-R/S,4-Z,6-S/R)-6-[(2,4-DINITROPHENYL)-SULFONYL]-3-HYDROXY-4-METHYL-1-PHENYLHEPT-4-EN-1-ONE
SpectraBase Compound ID 86TNYdraHbs
InChI InChI=1S/C20H20N2O8S/c1-13(18(23)12-19(24)15-6-4-3-5-7-15)10-14(2)31(29,30)20-9-8-16(21(25)26)11-17(20)22(27)28/h3-11,14,18,23H,12H2,1-2H3/b13-10-/t14-,18+/m0/s1
InChIKey GMPHMXLHBYALNY-VORGSDFKSA-N
Mol Weight 448.45 g/mol
Molecular Formula C20H20N2O8S
Exact Mass 448.094037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1nIouWCdcN0
Name (+/-)-(3-R/S,4-Z,6-S/R)-6-[(2,4-DINITROPHENYL)-SULFONYL]-3-HYDROXY-4-METHYL-1-PHENYLHEPT-4-EN-1-ONE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20N2O8S
InChI InChI=1S/C20H20N2O8S/c1-13(18(23)12-19(24)15-6-4-3-5-7-15)10-14(2)31(29,30)20-9-8-16(21(25)26)11-17(20)22(27)28/h3-11,14,18,23H,12H2,1-2H3/b13-10-/t14-,18+/m0/s1
InChIKey GMPHMXLHBYALNY-VORGSDFKSA-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 448.447 g/mol
Sample ID 42463
Solvent CDCl3