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Diethylmalonic acid, 3-chlorobenzyl pentadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 3-chlorobenzyl pentadecyl ester
SpectraBase Compound ID 6Q1NZhYV9HR
InChI InChI=1S/C29H47ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-33-27(31)29(5-2,6-3)28(32)34-24-25-20-19-21-26(30)23-25/h19-21,23H,4-18,22,24H2,1-3H3
InChIKey OSOGZWNSTJXONA-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 HGmS7YnAJ0a
Name Diethylmalonic acid, 3-chlorobenzyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.316287689 u
Formula C29H47ClO4
InChI InChI=1S/C29H47ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-33-27(31)29(5-2,6-3)28(32)34-24-25-20-19-21-26(30)23-25/h19-21,23H,4-18,22,24H2,1-3H3
InChIKey OSOGZWNSTJXONA-UHFFFAOYSA-N
Molecular Weight 495.144 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OCC1=CC(=CC=C1)Cl)=O)CC