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Diethylmalonic acid, 2,5-dichlorophenyl hexyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,5-dichlorophenyl hexyl ester
SpectraBase Compound ID 8LHd3kC56A2
InChI InChI=1S/C19H26Cl2O4/c1-4-7-8-9-12-24-17(22)19(5-2,6-3)18(23)25-16-13-14(20)10-11-15(16)21/h10-11,13H,4-9,12H2,1-3H3
InChIKey NURWUCSVLVDGKW-UHFFFAOYSA-N
Mol Weight 389.32 g/mol
Molecular Formula C19H26Cl2O4
Exact Mass 388.120815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zv8bgeC8Qi
Name Diethylmalonic acid, 2,5-dichlorophenyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.120814713 u
Formula C19H26Cl2O4
InChI InChI=1S/C19H26Cl2O4/c1-4-7-8-9-12-24-17(22)19(5-2,6-3)18(23)25-16-13-14(20)10-11-15(16)21/h10-11,13H,4-9,12H2,1-3H3
InChIKey NURWUCSVLVDGKW-UHFFFAOYSA-N
Molecular Weight 389.319 g/mol
SMILES C(C(C(OCCCCCC)=O)(C(OC1=C(C=CC(=C1)Cl)Cl)=O)CC)C