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Dimethylmalonic acid, 2,5-dichlorophenyl octadecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 2,5-dichlorophenyl octadecyl ester
SpectraBase Compound ID Jukh8vW5wJY
InChI InChI=1S/C29H46Cl2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-27(32)29(2,3)28(33)35-26-23-24(30)20-21-25(26)31/h20-21,23H,4-19,22H2,1-3H3
InChIKey QGIBKIZWWXPTGZ-UHFFFAOYSA-N
Mol Weight 529.6 g/mol
Molecular Formula C29H46Cl2O4
Exact Mass 528.277315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5OLNWlSn8Ox
Name Dimethylmalonic acid, 2,5-dichlorophenyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 528.277315357 u
Formula C29H46Cl2O4
InChI InChI=1S/C29H46Cl2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-27(32)29(2,3)28(33)35-26-23-24(30)20-21-25(26)31/h20-21,23H,4-19,22H2,1-3H3
InChIKey QGIBKIZWWXPTGZ-UHFFFAOYSA-N
Molecular Weight 529.589 g/mol
SMILES C1=CC(=CC(=C1Cl)OC(C(C(OCCCCCCCCCCCCCCCCCC)=O)(C)C)=O)Cl