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Diethyl 2,3-bis(2'-methylbenzoyl)succinate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Diethyl 2,3-bis(2'-methylbenzoyl)succinate
SpectraBase Compound ID KNBXePGIYJK
InChI InChI=1S/C24H26O6/c1-5-29-23(27)19(21(25)17-13-9-7-11-15(17)3)20(24(28)30-6-2)22(26)18-14-10-8-12-16(18)4/h7-14,19-20H,5-6H2,1-4H3
InChIKey ABVQQIXJJPCBOQ-UHFFFAOYSA-N
Mol Weight 410.47 g/mol
Molecular Formula C24H26O6
Exact Mass 410.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Mrdc5F6TCm
Name Diethyl 2,3-bis(2'-methylbenzoyl)succinate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.172938551 u
Formula C24H26O6
InChI InChI=1S/C24H26O6/c1-5-29-23(27)19(21(25)17-13-9-7-11-15(17)3)20(24(28)30-6-2)22(26)18-14-10-8-12-16(18)4/h7-14,19-20H,5-6H2,1-4H3
InChIKey ABVQQIXJJPCBOQ-UHFFFAOYSA-N
Molecular Weight 410.466 g/mol
SMILES C(C(C(C=1C(C)=CC=CC1)=O)C(=O)OCC)(C(C=1C(C)=CC=CC1)=O)C(=O)OCC