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cis-Cyclohex-4-en-1,2-dicarboxylic acid, tridecyl undecyl ester
SpectraBase Compound ID EvItYIHgs2i
InChI InChI=1S/C32H58O4/c1-3-5-7-9-11-13-14-16-18-20-24-28-36-32(34)30-26-22-21-25-29(30)31(33)35-27-23-19-17-15-12-10-8-6-4-2/h21-22,29-30H,3-20,23-28H2,1-2H3
InChIKey DHNDJBJUPHPOQZ-UHFFFAOYSA-N
Mol Weight 506.8 g/mol
Molecular Formula C32H58O4
Exact Mass 506.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aov6K6Jlxv1
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, tridecyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 506.433510344 u
Formula C32H58O4
InChI InChI=1S/C32H58O4/c1-3-5-7-9-11-13-14-16-18-20-24-28-36-32(34)30-26-22-21-25-29(30)31(33)35-27-23-19-17-15-12-10-8-6-4-2/h21-22,29-30H,3-20,23-28H2,1-2H3
InChIKey DHNDJBJUPHPOQZ-UHFFFAOYSA-N
Molecular Weight 506.812 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCCCCCCCC)=O)C(=O)OCCCCCCCCCCC