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Sebacic acid, dodecyl tetradec-2-enyl ester

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Sebacic acid, dodecyl tetradec-2-enyl ester
SpectraBase Compound ID DiMTUjM67wY
InChI InChI=1S/C36H68O4/c1-3-5-7-9-11-13-15-16-18-22-26-30-34-40-36(38)32-28-24-20-19-23-27-31-35(37)39-33-29-25-21-17-14-12-10-8-6-4-2/h26,30H,3-25,27-29,31-34H2,1-2H3/b30-26+
InChIKey WUTDWFCEZLRJCF-URGPHPNLSA-N
Mol Weight 564.9 g/mol
Molecular Formula C36H68O4
Exact Mass 564.511761 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4OGhRrtZwXM
Name Sebacic acid, dodecyl tetradec-2-enyl ester
Comments Computed using HOSE algorithm
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Exact Mass 564.511760666 u
Formula C36H68O4
InChI InChI=1S/C36H68O4/c1-3-5-7-9-11-13-15-16-18-22-26-30-34-40-36(38)32-28-24-20-19-23-27-31-35(37)39-33-29-25-21-17-14-12-10-8-6-4-2/h26,30H,3-25,27-29,31-34H2,1-2H3/b30-26+
InChIKey WUTDWFCEZLRJCF-URGPHPNLSA-N
Molecular Weight 564.936 g/mol
SMILES C(CCCCCC(OC\C=C\CCCCCCCCCCC)=O)CCC(OCCCCCCCCCCCC)=O