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Sebacic acid, dec-4-enyl octyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, dec-4-enyl octyl ester
SpectraBase Compound ID 1AW0qchnugp
InChI InChI=1S/C28H52O4/c1-3-5-7-9-11-14-18-22-26-32-28(30)24-20-16-13-12-15-19-23-27(29)31-25-21-17-10-8-6-4-2/h11,14H,3-10,12-13,15-26H2,1-2H3/b14-11+
InChIKey XOJHMBHPPZVMHT-SDNWHVSQSA-N
Mol Weight 452.7 g/mol
Molecular Formula C28H52O4
Exact Mass 452.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35IXamDryFY
Name Sebacic acid, dec-4-enyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.386560150 u
Formula C28H52O4
InChI InChI=1S/C28H52O4/c1-3-5-7-9-11-14-18-22-26-32-28(30)24-20-16-13-12-15-19-23-27(29)31-25-21-17-10-8-6-4-2/h11,14H,3-10,12-13,15-26H2,1-2H3/b14-11+
InChIKey XOJHMBHPPZVMHT-SDNWHVSQSA-N
Molecular Weight 452.720 g/mol
SMILES C(\C=C\CCCCC)CCOC(CCCCCCCCC(OCCCCCCCC)=O)=O