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Sebacic acid, cis-non-3-enyl pentadecyl ester
SpectraBase Compound ID A6SdANvfszH
InChI InChI=1S/C34H64O4/c1-3-5-7-9-11-12-13-14-15-16-20-24-28-32-38-34(36)30-26-22-18-17-21-25-29-33(35)37-31-27-23-19-10-8-6-4-2/h19,23H,3-18,20-22,24-32H2,1-2H3/b23-19-
InChIKey CETNCJQJNQOQMH-NMWGTECJSA-N
Mol Weight 536.9 g/mol
Molecular Formula C34H64O4
Exact Mass 536.480461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KxPIWt1r1FZ
Name Sebacic acid, cis-non-3-enyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 536.480460537 u
Formula C34H64O4
InChI InChI=1S/C34H64O4/c1-3-5-7-9-11-12-13-14-15-16-20-24-28-32-38-34(36)30-26-22-18-17-21-25-29-33(35)37-31-27-23-19-10-8-6-4-2/h19,23H,3-18,20-22,24-32H2,1-2H3/b23-19-
InChIKey CETNCJQJNQOQMH-NMWGTECJSA-N
Molecular Weight 536.882 g/mol
SMILES C(CCCCCCCCC(OCC\C=C/CCCCC)=O)(OCCCCCCCCCCCCCCC)=O