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Sebacic acid, nonyl oct-3-en-2-yl ester

View entire compound with spectra: 1 NMR

Sebacic acid, nonyl oct-3-en-2-yl ester
SpectraBase Compound ID Glossf1hL7k
InChI InChI=1S/C27H50O4/c1-4-6-8-10-13-16-20-24-30-26(28)22-18-14-11-12-15-19-23-27(29)31-25(3)21-17-9-7-5-2/h17,21,25H,4-16,18-20,22-24H2,1-3H3/b21-17+
InChIKey FQSSTMRDZAVWBL-HEHNFIMWSA-N
Mol Weight 438.7 g/mol
Molecular Formula C27H50O4
Exact Mass 438.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D9V0fv3bqHU
Name Sebacic acid, nonyl oct-3-en-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.370910086 u
Formula C27H50O4
InChI InChI=1S/C27H50O4/c1-4-6-8-10-13-16-20-24-30-26(28)22-18-14-11-12-15-19-23-27(29)31-25(3)21-17-9-7-5-2/h17,21,25H,4-16,18-20,22-24H2,1-3H3/b21-17+
InChIKey FQSSTMRDZAVWBL-HEHNFIMWSA-N
Molecular Weight 438.693 g/mol
SMILES C(\C=C\CCCC)(OC(CCCCCCCCC(OCCCCCCCCC)=O)=O)C