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Diethylmalonic acid, 4-chloro-3-methylphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-chloro-3-methylphenyl tridecyl ester
SpectraBase Compound ID DXf4J3aaDce
InChI InChI=1S/C27H43ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-20-31-25(29)27(6-2,7-3)26(30)32-23-18-19-24(28)22(4)21-23/h18-19,21H,5-17,20H2,1-4H3
InChIKey GNOUYVUJJSOMJY-UHFFFAOYSA-N
Mol Weight 467.1 g/mol
Molecular Formula C27H43ClO4
Exact Mass 466.284988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1CUroMoBiMg
Name Diethylmalonic acid, 4-chloro-3-methylphenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.284987561 u
Formula C27H43ClO4
InChI InChI=1S/C27H43ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-20-31-25(29)27(6-2,7-3)26(30)32-23-18-19-24(28)22(4)21-23/h18-19,21H,5-17,20H2,1-4H3
InChIKey GNOUYVUJJSOMJY-UHFFFAOYSA-N
Molecular Weight 467.090 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OC1=CC(=C(C=C1)Cl)C)=O)CC