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DIMETHYL-2-[1'-(4-CHLOROBENZOYL)-2'-BENZOYL-ETHYL]-MALONATE
SpectraBase Compound ID WqQbmZ15aB
InChI InChI=1S/C21H19ClO6/c1-27-20(25)18(21(26)28-2)16(12-17(23)13-6-4-3-5-7-13)19(24)14-8-10-15(22)11-9-14/h3-11,16,18H,12H2,1-2H3
InChIKey UFCMJFOLJBYHLT-UHFFFAOYSA-N
Mol Weight 402.83 g/mol
Molecular Formula C21H19ClO6
Exact Mass 402.087016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 30qvTEIKNF3
Name DIMETHYL-2-[1'-(4-CHLOROBENZOYL)-2'-BENZOYL-ETHYL]-MALONATE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19ClO6
InChI InChI=1S/C21H19ClO6/c1-27-20(25)18(21(26)28-2)16(12-17(23)13-6-4-3-5-7-13)19(24)14-8-10-15(22)11-9-14/h3-11,16,18H,12H2,1-2H3
InChIKey UFCMJFOLJBYHLT-UHFFFAOYSA-N
Literature Reference Author A.PADMAJA,G.S.REDDY,A.V.N.MOHAN,V.PADMAVATHI
Literature Reference Citation CHEM.PHARM.BULL.,56,647(2008)
Literature Reference DOI 10.1248/cpb.56.647
Molecular Weight 402.831 g/mol
Sample ID 1571
Solvent DMSO-D6