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Diethylmalonic acid, 2-chloro-5-methylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-chloro-5-methylphenyl undecyl ester
SpectraBase Compound ID CdCwraZo9bz
InChI InChI=1S/C25H39ClO4/c1-5-8-9-10-11-12-13-14-15-18-29-23(27)25(6-2,7-3)24(28)30-22-19-20(4)16-17-21(22)26/h16-17,19H,5-15,18H2,1-4H3
InChIKey JMYBAAJYTVZPGS-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 BEYOxlKAy1t
Name Diethylmalonic acid, 2-chloro-5-methylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.253687432 u
Formula C25H39ClO4
InChI InChI=1S/C25H39ClO4/c1-5-8-9-10-11-12-13-14-15-18-29-23(27)25(6-2,7-3)24(28)30-22-19-20(4)16-17-21(22)26/h16-17,19H,5-15,18H2,1-4H3
InChIKey JMYBAAJYTVZPGS-UHFFFAOYSA-N
Molecular Weight 439.036 g/mol
SMILES CCC(C(OCCCCCCCCCCC)=O)(C(OC1=C(C=CC(=C1)C)Cl)=O)CC