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Diethylmalonic acid, 2-chloro-5-methylphenyl heptadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-chloro-5-methylphenyl heptadecyl ester
SpectraBase Compound ID JE8yAqxdcyg
InChI InChI=1S/C31H51ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-35-29(33)31(6-2,7-3)30(34)36-28-25-26(4)22-23-27(28)32/h22-23,25H,5-21,24H2,1-4H3
InChIKey UGLCSAZFEUGNLC-UHFFFAOYSA-N
Mol Weight 523.2 g/mol
Molecular Formula C31H51ClO4
Exact Mass 522.347588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQitM9AnHpx
Name Diethylmalonic acid, 2-chloro-5-methylphenyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 522.347587818 u
Formula C31H51ClO4
InChI InChI=1S/C31H51ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-35-29(33)31(6-2,7-3)30(34)36-28-25-26(4)22-23-27(28)32/h22-23,25H,5-21,24H2,1-4H3
InChIKey UGLCSAZFEUGNLC-UHFFFAOYSA-N
Molecular Weight 523.198 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC(=C1)C)Cl)=O)CC