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Docosane-9,9,14,14-tetracarboxylic acid tetraethylester
SpectraBase Compound ID 82vn5YR6Vvi
InChI InChI=1S/C34H62O8/c1-7-13-15-17-19-21-25-33(29(35)39-9-3,30(36)40-10-4)27-23-24-28-34(31(37)41-11-5,32(38)42-12-6)26-22-20-18-16-14-8-2/h7-28H2,1-6H3
InChIKey HVYMTODRTGKURH-UHFFFAOYSA-N
Mol Weight 598.9 g/mol
Molecular Formula C34H62O8
Exact Mass 598.444469 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Atzei9JLAsS
Name Docosane-9,9,14,14-tetracarboxylic acid tetraethylester
Comments Computed using HOSE algorithm
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Exact Mass 598.444468948 u
Formula C34H62O8
InChI InChI=1S/C34H62O8/c1-7-13-15-17-19-21-25-33(29(35)39-9-3,30(36)40-10-4)27-23-24-28-34(31(37)41-11-5,32(38)42-12-6)26-22-20-18-16-14-8-2/h7-28H2,1-6H3
InChIKey HVYMTODRTGKURH-UHFFFAOYSA-N
Molecular Weight 598.862 g/mol
SMILES C(CCC(CCCCCCCC)(C(OCC)=O)C(OCC)=O)CC(CCCCCCCC)(C(OCC)=O)C(=O)OCC