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Dimethylmalonic acid, octyl pentadecyl ester
SpectraBase Compound ID ARWwRa40eZN
InChI InChI=1S/C28H54O4/c1-5-7-9-11-13-14-15-16-17-18-19-21-23-25-32-27(30)28(3,4)26(29)31-24-22-20-12-10-8-6-2/h5-25H2,1-4H3
InChIKey PJMXAZJWDDXHGK-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C28H54O4
Exact Mass 454.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nUHOQ2Cp5d
Name Dimethylmalonic acid, octyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.402210215 u
Formula C28H54O4
InChI InChI=1S/C28H54O4/c1-5-7-9-11-13-14-15-16-17-18-19-21-23-25-32-27(30)28(3,4)26(29)31-24-22-20-12-10-8-6-2/h5-25H2,1-4H3
InChIKey PJMXAZJWDDXHGK-UHFFFAOYSA-N
Molecular Weight 454.736 g/mol
SMILES CCCCCCCCCCCCCCCOC(C(C(=O)OCCCCCCCC)(C)C)=O