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Dimethylmalonic acid, 2,5-dichlorophenyl heptadecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 2,5-dichlorophenyl heptadecyl ester
SpectraBase Compound ID 9yB0WczVhi0
InChI InChI=1S/C28H44Cl2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-33-26(31)28(2,3)27(32)34-25-22-23(29)19-20-24(25)30/h19-20,22H,4-18,21H2,1-3H3
InChIKey VUGIQCAZXXRMHS-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 Bem97lBGmJP
Name Dimethylmalonic acid, 2,5-dichlorophenyl heptadecyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-33-26(31)28(2,3)27(32)34-25-22-23(29)19-20-24(25)30/h19-20,22H,4-18,21H2,1-3H3
InChIKey VUGIQCAZXXRMHS-UHFFFAOYSA-N
Molecular Weight 515.562 g/mol
SMILES C1=CC(=CC(=C1Cl)OC(C(C(OCCCCCCCCCCCCCCCCC)=O)(C)C)=O)Cl