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cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(tridecyl) ester
SpectraBase Compound ID COB6ubHtCY9
InChI InChI=1S/C34H62O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-37-33(35)31-27-23-24-28-32(31)34(36)38-30-26-22-20-18-16-14-12-10-8-6-4-2/h23-24,31-32H,3-22,25-30H2,1-2H3
InChIKey PQKUVZRYWNJAAA-UHFFFAOYSA-N
Mol Weight 534.9 g/mol
Molecular Formula C34H62O4
Exact Mass 534.46481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23R4yabSUcN
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(tridecyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 534.464810472 u
Formula C34H62O4
InChI InChI=1S/C34H62O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-37-33(35)31-27-23-24-28-32(31)34(36)38-30-26-22-20-18-16-14-12-10-8-6-4-2/h23-24,31-32H,3-22,25-30H2,1-2H3
InChIKey PQKUVZRYWNJAAA-UHFFFAOYSA-N
Molecular Weight 534.866 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCCCCCCCC)=O)C(=O)OCCCCCCCCCCCCC