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(+/-)-(2-E,4-E,6-R/S)-4-METHYL-6-[(2,4-DINITROPHENYL)-SULFONYL]-PHENYLHEPTA-2,4-DIEN-1-ONE

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(+/-)-(2-E,4-E,6-R/S)-4-METHYL-6-[(2,4-DINITROPHENYL)-SULFONYL]-PHENYLHEPTA-2,4-DIEN-1-ONE
SpectraBase Compound ID 33guHEAvv65
InChI InChI=1S/C20H18N2O7S/c1-14(8-10-19(23)16-6-4-3-5-7-16)12-15(2)30(28,29)20-11-9-17(21(24)25)13-18(20)22(26)27/h3-13,15H,1-2H3/b10-8+,14-12-/t15-/m0/s1
InChIKey UMYSDIZQBFAKMZ-SHWIPEMOSA-N
Mol Weight 430.43 g/mol
Molecular Formula C20H18N2O7S
Exact Mass 430.083472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJeo0VZSOHg
Name (+/-)-(2-E,4-E,6-R/S)-4-METHYL-6-[(2,4-DINITROPHENYL)-SULFONYL]-PHENYLHEPTA-2,4-DIEN-1-ONE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18N2O7S
InChI InChI=1S/C20H18N2O7S/c1-14(8-10-19(23)16-6-4-3-5-7-16)12-15(2)30(28,29)20-11-9-17(21(24)25)13-18(20)22(26)27/h3-13,15H,1-2H3/b10-8+,14-12-/t15-/m0/s1
InChIKey UMYSDIZQBFAKMZ-SHWIPEMOSA-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 430.432 g/mol
Sample ID 42455
Solvent CDCl3