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Diethylmalonic acid, 2-ethylbutyl tetradecyl ester
SpectraBase Compound ID LULRyfGItmP
InChI InChI=1S/C27H52O4/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-30-25(28)27(9-4,10-5)26(29)31-23-24(7-2)8-3/h24H,6-23H2,1-5H3
InChIKey BDHPUCNDTCDFJG-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 7fesaTUG59p
Name Diethylmalonic acid, 2-ethylbutyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.386560150 u
Formula C27H52O4
InChI InChI=1S/C27H52O4/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-30-25(28)27(9-4,10-5)26(29)31-23-24(7-2)8-3/h24H,6-23H2,1-5H3
InChIKey BDHPUCNDTCDFJG-UHFFFAOYSA-N
Molecular Weight 440.709 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCC)=O)(C(OCC(CC)CC)=O)CC