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Sebacic acid, geranyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, geranyl nonyl ester
SpectraBase Compound ID CYgDYHb0OCT
InChI InChI=1S/C29H52O4/c1-5-6-7-8-11-14-17-24-32-28(30)21-15-12-9-10-13-16-22-29(31)33-25-23-27(4)20-18-19-26(2)3/h19,23H,5-18,20-22,24-25H2,1-4H3/b27-23+
InChIKey NOOKRYPJQVSZJL-SLEBQGDGSA-N
Mol Weight 464.7 g/mol
Molecular Formula C29H52O4
Exact Mass 464.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fhw57ZOP2Do
Name Sebacic acid, geranyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.386560150 u
Formula C29H52O4
InChI InChI=1S/C29H52O4/c1-5-6-7-8-11-14-17-24-32-28(30)21-15-12-9-10-13-16-22-29(31)33-25-23-27(4)20-18-19-26(2)3/h19,23H,5-18,20-22,24-25H2,1-4H3/b27-23+
InChIKey NOOKRYPJQVSZJL-SLEBQGDGSA-N
Molecular Weight 464.731 g/mol
SMILES C(=CCC\C(=C\COC(CCCCCCCCC(OCCCCCCCCC)=O)=O)C)(C)C