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Diethylmalonic acid, 2,3-dichlorophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,3-dichlorophenyl pentadecyl ester
SpectraBase Compound ID GFOjGoD1bFL
InChI InChI=1S/C28H44Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-33-26(31)28(5-2,6-3)27(32)34-24-21-19-20-23(29)25(24)30/h19-21H,4-18,22H2,1-3H3
InChIKey ZTCIZKCRXJYSSP-UHFFFAOYSA-N
Mol Weight 515.6 g/mol
Molecular Formula C28H44Cl2O4
Exact Mass 514.261665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IeV4nYXKVU1
Name Diethylmalonic acid, 2,3-dichlorophenyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 514.261665293 u
Formula C28H44Cl2O4
InChI InChI=1S/C28H44Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-33-26(31)28(5-2,6-3)27(32)34-24-21-19-20-23(29)25(24)30/h19-21H,4-18,22H2,1-3H3
InChIKey ZTCIZKCRXJYSSP-UHFFFAOYSA-N
Molecular Weight 515.562 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=C(C(=CC=C1)Cl)Cl)=O)CC