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DIMETHYL-3-[[2'-CYCLOPROPYL-1'-(4''-NITROPHENYL)-ETHENYL]-CYCLOHEX-4-ENE-1,2-DICARBOXYLATE

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DIMETHYL-3-[[2'-CYCLOPROPYL-1'-(4''-NITROPHENYL)-ETHENYL]-CYCLOHEX-4-ENE-1,2-DICARBOXYLATE
SpectraBase Compound ID BaH6e3lWIfl
InChI InChI=1S/C21H23NO6/c1-27-20(23)17-5-3-4-16(19(17)21(24)28-2)18(12-13-6-7-13)14-8-10-15(11-9-14)22(25)26/h3-4,8-13,16-17,19H,5-7H2,1-2H3/b18-12+/t16?,17-,19-/m1/s1
InChIKey IWBFFXWYKFLZQP-XFAIHWBMSA-N
Mol Weight 385.42 g/mol
Molecular Formula C21H23NO6
Exact Mass 385.152537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmrTnPc7hw1
Name DIMETHYL-3-[[2'-CYCLOPROPYL-1'-(4''-NITROPHENYL)-ETHENYL]-CYCLOHEX-4-ENE-1,2-DICARBOXYLATE
Compound Number 8A-4-O 2N-C6H4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23NO6
InChI InChI=1S/C21H23NO6/c1-27-20(23)17-5-3-4-16(19(17)21(24)28-2)18(12-13-6-7-13)14-8-10-15(11-9-14)22(25)26/h3-4,8-13,16-17,19H,5-7H2,1-2H3/b18-12+/t16?,17-,19-/m1/s1
InChIKey IWBFFXWYKFLZQP-XFAIHWBMSA-N
Literature Reference Author M.KNOKE,A.D.MEIJERE
Literature Reference Citation EUR.J.ORG.CHEM.,2259(2005)
Molecular Weight 385.417 g/mol
Sample ID 39284
Solvent CDCl3