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Diethylmalonic acid, 4-chlorobenzyl decyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-chlorobenzyl decyl ester
SpectraBase Compound ID Fx6ZS0Ems0g
InChI InChI=1S/C24H37ClO4/c1-4-7-8-9-10-11-12-13-18-28-22(26)24(5-2,6-3)23(27)29-19-20-14-16-21(25)17-15-20/h14-17H,4-13,18-19H2,1-3H3
InChIKey MXVNPDZRAHJYMJ-UHFFFAOYSA-N
Mol Weight 425.0 g/mol
Molecular Formula C24H37ClO4
Exact Mass 424.238037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ARaCtmzTNjb
Name Diethylmalonic acid, 4-chlorobenzyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.238037367 u
Formula C24H37ClO4
InChI InChI=1S/C24H37ClO4/c1-4-7-8-9-10-11-12-13-18-28-22(26)24(5-2,6-3)23(27)29-19-20-14-16-21(25)17-15-20/h14-17H,4-13,18-19H2,1-3H3
InChIKey MXVNPDZRAHJYMJ-UHFFFAOYSA-N
Molecular Weight 425.009 g/mol
SMILES CCC(C(OCCCCCCCCCC)=O)(C(OCC1=CC=C(C=C1)Cl)=O)CC