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Diethylmalonic acid, 2,5-dichlorophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,5-dichlorophenyl pentadecyl ester
SpectraBase Compound ID DVcWTpWlxql
InChI InChI=1S/C28H44Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-33-26(31)28(5-2,6-3)27(32)34-25-22-23(29)19-20-24(25)30/h19-20,22H,4-18,21H2,1-3H3
InChIKey ASZZRYVWNLIFKW-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 H2LKvBXankx
Name Diethylmalonic acid, 2,5-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/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-33-26(31)28(5-2,6-3)27(32)34-25-22-23(29)19-20-24(25)30/h19-20,22H,4-18,21H2,1-3H3
InChIKey ASZZRYVWNLIFKW-UHFFFAOYSA-N
Molecular Weight 515.562 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC(=C1)Cl)Cl)=O)CC