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Sebacic acid, dec-4-enyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, dec-4-enyl nonyl ester
SpectraBase Compound ID 5v4gQ4IVLbF
InChI InChI=1S/C29H54O4/c1-3-5-7-9-11-15-19-23-27-33-29(31)25-21-17-13-12-16-20-24-28(30)32-26-22-18-14-10-8-6-4-2/h11,15H,3-10,12-14,16-27H2,1-2H3/b15-11+
InChIKey OIDLHSWBKFOYRF-RVDMUPIBSA-N
Mol Weight 466.7 g/mol
Molecular Formula C29H54O4
Exact Mass 466.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClWcWYGH07V
Name Sebacic acid, dec-4-enyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.402210215 u
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-3-5-7-9-11-15-19-23-27-33-29(31)25-21-17-13-12-16-20-24-28(30)32-26-22-18-14-10-8-6-4-2/h11,15H,3-10,12-14,16-27H2,1-2H3/b15-11+
InChIKey OIDLHSWBKFOYRF-RVDMUPIBSA-N
Molecular Weight 466.747 g/mol
SMILES C(\C=C\CCCCC)CCOC(CCCCCCCCC(OCCCCCCCCC)=O)=O