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Sebacic acid, di(cis-non-3-enyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(cis-non-3-enyl) ester
SpectraBase Compound ID 7xxAyChzy85
InChI InChI=1S/C28H50O4/c1-3-5-7-9-13-17-21-25-31-27(29)23-19-15-11-12-16-20-24-28(30)32-26-22-18-14-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-26H2,1-2H3/b17-13-,18-14-
InChIKey NHRKLPJLAZTUKG-JTFWXBGUSA-N
Mol Weight 450.7 g/mol
Molecular Formula C28H50O4
Exact Mass 450.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7dWeUqmxGgL
Name Sebacic acid, di(cis-non-3-enyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 450.370910086 u
Formula C28H50O4
InChI InChI=1S/C28H50O4/c1-3-5-7-9-13-17-21-25-31-27(29)23-19-15-11-12-16-20-24-28(30)32-26-22-18-14-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-26H2,1-2H3/b17-13-,18-14-
InChIKey NHRKLPJLAZTUKG-JTFWXBGUSA-N
Molecular Weight 450.704 g/mol
SMILES C(CCCCCCCCC(OCC\C=C/CCCCC)=O)(OCC\C=C/CCCCC)=O