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Diethylmalonic acid, 2-chlorophenyl hexadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-chlorophenyl hexadecyl ester
SpectraBase Compound ID 2KYGqWmiWUx
InChI InChI=1S/C29H47ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-27(31)29(5-2,6-3)28(32)34-26-23-20-19-22-25(26)30/h19-20,22-23H,4-18,21,24H2,1-3H3
InChIKey RKKWUSZOYDZFGU-UHFFFAOYSA-N
Mol Weight 495.1 g/mol
Molecular Formula C29H47ClO4
Exact Mass 494.316288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JMlh7rT2N6N
Name Diethylmalonic acid, 2-chlorophenyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.316287689 u
Formula C29H47ClO4
InChI InChI=1S/C29H47ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-27(31)29(5-2,6-3)28(32)34-26-23-20-19-22-25(26)30/h19-20,22-23H,4-18,21,24H2,1-3H3
InChIKey RKKWUSZOYDZFGU-UHFFFAOYSA-N
Molecular Weight 495.144 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)Cl)=O)CC)C