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Dimethylmalonic acid, 2,5-dichlorophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 2,5-dichlorophenyl pentadecyl ester
SpectraBase Compound ID EL6cte5g17n
InChI InChI=1S/C26H40Cl2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-31-24(29)26(2,3)25(30)32-23-20-21(27)17-18-22(23)28/h17-18,20H,4-16,19H2,1-3H3
InChIKey MFEJYOJMNTYSEP-UHFFFAOYSA-N
Mol Weight 487.5 g/mol
Molecular Formula C26H40Cl2O4
Exact Mass 486.230365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IzS0lMYkaiR
Name Dimethylmalonic acid, 2,5-dichlorophenyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.230365164 u
Formula C26H40Cl2O4
InChI InChI=1S/C26H40Cl2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-31-24(29)26(2,3)25(30)32-23-20-21(27)17-18-22(23)28/h17-18,20H,4-16,19H2,1-3H3
InChIKey MFEJYOJMNTYSEP-UHFFFAOYSA-N
Molecular Weight 487.508 g/mol
SMILES C1=CC(=CC(=C1Cl)OC(C(C(OCCCCCCCCCCCCCCC)=O)(C)C)=O)Cl