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Diethylmalonic acid, dodecyl 3-ethylphenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, dodecyl 3-ethylphenyl ester
SpectraBase Compound ID GbeweZnVFkQ
InChI InChI=1S/C27H44O4/c1-5-9-10-11-12-13-14-15-16-17-21-30-25(28)27(7-3,8-4)26(29)31-24-20-18-19-23(6-2)22-24/h18-20,22H,5-17,21H2,1-4H3
InChIKey MQRHVJTUNDOCAJ-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fm6Eqg5Ajov
Name Diethylmalonic acid, dodecyl 3-ethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-5-9-10-11-12-13-14-15-16-17-21-30-25(28)27(7-3,8-4)26(29)31-24-20-18-19-23(6-2)22-24/h18-20,22H,5-17,21H2,1-4H3
InChIKey MQRHVJTUNDOCAJ-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES CCC1=CC=CC(=C1)OC(C(C(OCCCCCCCCCCCC)=O)(CC)CC)=O