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Glutaric acid, 2,5-dichlorophenyl heptadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,5-dichlorophenyl heptadecyl ester
SpectraBase Compound ID Lw1writSz3M
InChI InChI=1S/C28H44Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-33-27(31)18-17-19-28(32)34-26-23-24(29)20-21-25(26)30/h20-21,23H,2-19,22H2,1H3
InChIKey OCEVHCJNOVNSLL-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 6LdHllZ3t8X
Name Glutaric 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-33-27(31)18-17-19-28(32)34-26-23-24(29)20-21-25(26)30/h20-21,23H,2-19,22H2,1H3
InChIKey OCEVHCJNOVNSLL-UHFFFAOYSA-N
Molecular Weight 515.562 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(CCCC(OC1=CC(=CC=C1Cl)Cl)=O)=O