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Diethylmalonic acid, 4-chlorobenzyl hexadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-chlorobenzyl hexadecyl ester
SpectraBase Compound ID FLh26SibJU3
InChI InChI=1S/C30H49ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-34-28(32)30(5-2,6-3)29(33)35-25-26-20-22-27(31)23-21-26/h20-23H,4-19,24-25H2,1-3H3
InChIKey SUOLMGAJCDRKLV-UHFFFAOYSA-N
Mol Weight 509.2 g/mol
Molecular Formula C30H49ClO4
Exact Mass 508.331938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hj4zZW44jFr
Name Diethylmalonic acid, 4-chlorobenzyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 508.331937754 u
Formula C30H49ClO4
InChI InChI=1S/C30H49ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-34-28(32)30(5-2,6-3)29(33)35-25-26-20-22-27(31)23-21-26/h20-23H,4-19,24-25H2,1-3H3
InChIKey SUOLMGAJCDRKLV-UHFFFAOYSA-N
Molecular Weight 509.171 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OCC1=CC=C(C=C1)Cl)=O)CC