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Sebacic acid, but-2-enyl pentadecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, but-2-enyl pentadecyl ester
SpectraBase Compound ID cv5nn2wUXW
InChI InChI=1S/C29H54O4/c1-3-5-7-8-9-10-11-12-13-14-17-20-23-27-33-29(31)25-22-19-16-15-18-21-24-28(30)32-26-6-4-2/h4,6H,3,5,7-27H2,1-2H3/b6-4+
InChIKey DMYJPNBHZABISR-GQCTYLIASA-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 BTgQ027n6JJ
Name Sebacic acid, but-2-enyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.402210215 u
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-3-5-7-8-9-10-11-12-13-14-17-20-23-27-33-29(31)25-22-19-16-15-18-21-24-28(30)32-26-6-4-2/h4,6H,3,5,7-27H2,1-2H3/b6-4+
InChIKey DMYJPNBHZABISR-GQCTYLIASA-N
Molecular Weight 466.747 g/mol
SMILES C(CCCCCCCCC(OC\C=C\C)=O)(OCCCCCCCCCCCCCCC)=O