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Diethylmalonic acid, hexyl 2,4,6-trichlorophenyl ester

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Diethylmalonic acid, hexyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID KagT1MOOKhH
InChI InChI=1S/C19H25Cl3O4/c1-4-7-8-9-10-25-17(23)19(5-2,6-3)18(24)26-16-14(21)11-13(20)12-15(16)22/h11-12H,4-10H2,1-3H3
InChIKey DVEFYWVHEKZHNR-UHFFFAOYSA-N
Mol Weight 423.76 g/mol
Molecular Formula C19H25Cl3O4
Exact Mass 422.081842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7rPULKKXHu
Name Diethylmalonic acid, hexyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.081842381 u
Formula C19H25Cl3O4
InChI InChI=1S/C19H25Cl3O4/c1-4-7-8-9-10-25-17(23)19(5-2,6-3)18(24)26-16-14(21)11-13(20)12-15(16)22/h11-12H,4-10H2,1-3H3
InChIKey DVEFYWVHEKZHNR-UHFFFAOYSA-N
Molecular Weight 423.764 g/mol
SMILES CCC(C(OCCCCCC)=O)(C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)CC