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(S)-DIETHYL-2-METHYL-2-[2-NITRO-1-(2-(TRIFLUOROMETHYL)-PHENYL)-ETHYL]-MALONATE
SpectraBase Compound ID 1XkP49kneOl
InChI InChI=1S/C17H20F3NO6/c1-4-26-14(22)16(3,15(23)27-5-2)13(10-21(24)25)11-8-6-7-9-12(11)17(18,19)20/h6-9,13H,4-5,10H2,1-3H3/t13-/m0/s1
InChIKey RMFXREYUDBEUTL-ZDUSSCGKSA-N
Mol Weight 391.34 g/mol
Molecular Formula C17H20F3NO6
Exact Mass 391.124272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cJQNcouIm5
Name (S)-DIETHYL-2-METHYL-2-[2-NITRO-1-(2-(TRIFLUOROMETHYL)-PHENYL)-ETHYL]-MALONATE
Compound Number 9G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20F3NO6
InChI InChI=1S/C17H20F3NO6/c1-4-26-14(22)16(3,15(23)27-5-2)13(10-21(24)25)11-8-6-7-9-12(11)17(18,19)20/h6-9,13H,4-5,10H2,1-3H3/t13-/m0/s1
InChIKey RMFXREYUDBEUTL-ZDUSSCGKSA-N
Literature Reference Author P.J.NICHOLS,J.A.DE.MATTEI,B.R.BARNETT,N.A.LE.FUR,T.H.CHUANG, A.D.PISCOPIO,K.KOCH
Literature Reference Citation ORG.LETTERS,8,1495(2006)
Literature Reference DOI 10.1021/ol060398p
Molecular Weight 391.344 g/mol
Sample ID 58958
Solvent CDCl3