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DIMETHYL-2-[1'-(4-METHYLBENZOYL)-2'-BENZOYL-ETHYL]-MALONATE
SpectraBase Compound ID 7sgXdK5KZ87
InChI InChI=1S/C22H22O6/c1-14-9-11-16(12-10-14)20(24)17(19(21(25)27-2)22(26)28-3)13-18(23)15-7-5-4-6-8-15/h4-12,17,19H,13H2,1-3H3
InChIKey CYNJUFJKTJXYLS-UHFFFAOYSA-N
Mol Weight 382.41 g/mol
Molecular Formula C22H22O6
Exact Mass 382.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GJ6CF06xJZA
Name DIMETHYL-2-[1'-(4-METHYLBENZOYL)-2'-BENZOYL-ETHYL]-MALONATE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O6
InChI InChI=1S/C22H22O6/c1-14-9-11-16(12-10-14)20(24)17(19(21(25)27-2)22(26)28-3)13-18(23)15-7-5-4-6-8-15/h4-12,17,19H,13H2,1-3H3
InChIKey CYNJUFJKTJXYLS-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 382.413 g/mol
Sample ID 1570
Solvent DMSO-D6