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Diethylmalonic acid, 2-chloro-4-methoxyphenyl nonyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-chloro-4-methoxyphenyl nonyl ester
SpectraBase Compound ID gNdhjwy0kU
InChI InChI=1S/C23H35ClO5/c1-5-8-9-10-11-12-13-16-28-21(25)23(6-2,7-3)22(26)29-20-15-14-18(27-4)17-19(20)24/h14-15,17H,5-13,16H2,1-4H3
InChIKey JTRIPOQZZCPDHA-UHFFFAOYSA-N
Mol Weight 427.0 g/mol
Molecular Formula C23H35ClO5
Exact Mass 426.217302 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2uin06Aaz3O
Name Diethylmalonic acid, 2-chloro-4-methoxyphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 426.217301922 u
Formula C23H35ClO5
InChI InChI=1S/C23H35ClO5/c1-5-8-9-10-11-12-13-16-28-21(25)23(6-2,7-3)22(26)29-20-15-14-18(27-4)17-19(20)24/h14-15,17H,5-13,16H2,1-4H3
InChIKey JTRIPOQZZCPDHA-UHFFFAOYSA-N
Molecular Weight 426.981 g/mol
SMILES C(C(C(OCCCCCCCCC)=O)(CC)CC)(OC1=CC=C(OC)C=C1Cl)=O