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Diethylmalonic acid, 2-methylpent-3-yl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-methylpent-3-yl tridecyl ester
SpectraBase Compound ID ArDmEXJSrT1
InChI InChI=1S/C26H50O4/c1-7-11-12-13-14-15-16-17-18-19-20-21-29-24(27)26(9-3,10-4)25(28)30-23(8-2)22(5)6/h22-23H,7-21H2,1-6H3
InChIKey JWVKXLAHLOMGSS-UHFFFAOYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C26H50O4
Exact Mass 426.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vEVfULy5pK
Name Diethylmalonic acid, 2-methylpent-3-yl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 426.370910086 u
Formula C26H50O4
InChI InChI=1S/C26H50O4/c1-7-11-12-13-14-15-16-17-18-19-20-21-29-24(27)26(9-3,10-4)25(28)30-23(8-2)22(5)6/h22-23H,7-21H2,1-6H3
InChIKey JWVKXLAHLOMGSS-UHFFFAOYSA-N
Molecular Weight 426.682 g/mol
SMILES C(C(C(OCCCCCCCCCCCCC)=O)(CC)CC)(OC(C(C)C)CC)=O