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Diethylmalonic acid, 2-chlorophenyl dodecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-chlorophenyl dodecyl ester
SpectraBase Compound ID 1nZUTAbJznQ
InChI InChI=1S/C25H39ClO4/c1-4-7-8-9-10-11-12-13-14-17-20-29-23(27)25(5-2,6-3)24(28)30-22-19-16-15-18-21(22)26/h15-16,18-19H,4-14,17,20H2,1-3H3
InChIKey BERCDWWEMVEOSC-UHFFFAOYSA-N
Mol Weight 439.0 g/mol
Molecular Formula C25H39ClO4
Exact Mass 438.253687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E8eDHMULCDL
Name Diethylmalonic acid, 2-chlorophenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.253687432 u
Formula C25H39ClO4
InChI InChI=1S/C25H39ClO4/c1-4-7-8-9-10-11-12-13-14-17-20-29-23(27)25(5-2,6-3)24(28)30-22-19-16-15-18-21(22)26/h15-16,18-19H,4-14,17,20H2,1-3H3
InChIKey BERCDWWEMVEOSC-UHFFFAOYSA-N
Molecular Weight 439.036 g/mol
SMILES CCC(C(OCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)Cl)=O)CC