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DIMETHYL-2-[(TERT.-BUTYLAMINO)-CARBONYL]-3-[(2-ETHOXY-2-OXOACETYL)-ANILINO]-SUCCINATE;MAJOR-ISOMER
SpectraBase Compound ID 2InMbbZfXtZ
InChI InChI=1S/C21H28N2O8/c1-7-31-20(28)17(25)23(13-11-9-8-10-12-13)15(19(27)30-6)14(18(26)29-5)16(24)22-21(2,3)4/h8-12,14-15H,7H2,1-6H3,(H,22,24)
InChIKey HBBZZXRXHVDISC-UHFFFAOYSA-N
Mol Weight 436.46 g/mol
Molecular Formula C21H28N2O8
Exact Mass 436.184566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GOT0Q5hOJI9
Name DIMETHYL-2-[(TERT.-BUTYLAMINO)-CARBONYL]-3-[(2-ETHOXY-2-OXOACETYL)-ANILINO]-SUCCINATE;MINOR-ISOMER
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28N2O8
InChI InChI=1S/C21H28N2O8/c1-7-31-20(28)17(25)23(13-11-9-8-10-12-13)15(19(27)30-6)14(18(26)29-5)16(24)22-21(2,3)4/h8-12,14-15H,7H2,1-6H3,(H,22,24)
InChIKey HBBZZXRXHVDISC-UHFFFAOYSA-N
Literature Reference Author F.NASIRI,S.YOSEFDAD
Literature Reference Citation MH.CHEM.,139,1457(2008)
Literature Reference DOI 10.1007/s00706-008-0954-9
Molecular Weight 436.462 g/mol
Sample ID 40235
Solvent CDCl3