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Diethylmalonic acid, dodecyl 2,4,4-trimethylpentyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, dodecyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID gf09SIPyD4
InChI InChI=1S/C27H52O4/c1-8-11-12-13-14-15-16-17-18-19-20-30-24(28)27(9-2,10-3)25(29)31-22-23(4)21-26(5,6)7/h23H,8-22H2,1-7H3
InChIKey JHZBZSZBPGZVLX-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C27H52O4
Exact Mass 440.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2eTPps5Gwx3
Name Diethylmalonic acid, dodecyl 2,4,4-trimethylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.386560150 u
Formula C27H52O4
InChI InChI=1S/C27H52O4/c1-8-11-12-13-14-15-16-17-18-19-20-30-24(28)27(9-2,10-3)25(29)31-22-23(4)21-26(5,6)7/h23H,8-22H2,1-7H3
InChIKey JHZBZSZBPGZVLX-UHFFFAOYSA-N
Molecular Weight 440.709 g/mol
SMILES CCC(C(OCCCCCCCCCCCC)=O)(C(OCC(CC(C)(C)C)C)=O)CC