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DIMETHYL-2-[1'-(4-CHLOROBENZOYL)-2'-(4-METHYLBENZOYL)-ETHYL]-MALONATE
SpectraBase Compound ID ABNKaN8ycL8
InChI InChI=1S/C22H21ClO6/c1-13-4-6-14(7-5-13)18(24)12-17(19(21(26)28-2)22(27)29-3)20(25)15-8-10-16(23)11-9-15/h4-11,17,19H,12H2,1-3H3
InChIKey VPEOQPGROHYUON-UHFFFAOYSA-N
Mol Weight 416.86 g/mol
Molecular Formula C22H21ClO6
Exact Mass 416.102666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3nwNsikhs8
Name DIMETHYL-2-[1'-(4-CHLOROBENZOYL)-2'-(4-METHYLBENZOYL)-ETHYL]-MALONATE
Compound Number 2F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21ClO6
InChI InChI=1S/C22H21ClO6/c1-13-4-6-14(7-5-13)18(24)12-17(19(21(26)28-2)22(27)29-3)20(25)15-8-10-16(23)11-9-15/h4-11,17,19H,12H2,1-3H3
InChIKey VPEOQPGROHYUON-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 416.858 g/mol
Sample ID 1572
Solvent DMSO-D6