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Dimethylmalonic acid, heptadecyl 4-octyl ester

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Dimethylmalonic acid, heptadecyl 4-octyl ester
SpectraBase Compound ID 6WI2pFlGeGu
InChI InChI=1S/C30H58O4/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-23-26-33-28(31)30(4,5)29(32)34-27(24-8-3)25-10-7-2/h27H,6-26H2,1-5H3
InChIKey XDUVQGITCMSSBF-UHFFFAOYSA-N
Mol Weight 482.8 g/mol
Molecular Formula C30H58O4
Exact Mass 482.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IX5LTXdJXbg
Name Dimethylmalonic acid, heptadecyl 4-octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.433510344 u
Formula C30H58O4
InChI InChI=1S/C30H58O4/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-23-26-33-28(31)30(4,5)29(32)34-27(24-8-3)25-10-7-2/h27H,6-26H2,1-5H3
InChIKey XDUVQGITCMSSBF-UHFFFAOYSA-N
Molecular Weight 482.790 g/mol
SMILES CCCC(OC(=O)C(C)(C)C(OCCCCCCCCCCCCCCCCC)=O)CCCC