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Diethylmalonic acid, di(3,5-dimethylphenyl) ester

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Diethylmalonic acid, di(3,5-dimethylphenyl) ester
SpectraBase Compound ID Hnk8OKTbr1g
InChI InChI=1S/C23H28O4/c1-7-23(8-2,21(24)26-19-11-15(3)9-16(4)12-19)22(25)27-20-13-17(5)10-18(6)14-20/h9-14H,7-8H2,1-6H3
InChIKey XJEYFORENURSCU-UHFFFAOYSA-N
Mol Weight 368.47 g/mol
Molecular Formula C23H28O4
Exact Mass 368.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ZbyhdSotat
Name Diethylmalonic acid, di(3,5-dimethylphenyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-7-23(8-2,21(24)26-19-11-15(3)9-16(4)12-19)22(25)27-20-13-17(5)10-18(6)14-20/h9-14H,7-8H2,1-6H3
InChIKey XJEYFORENURSCU-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES CCC(C(OC1=CC(C)=CC(C)=C1)=O)(C(OC1=CC(C)=CC(C)=C1)=O)CC