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Sebacic acid, geranyl isobutyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Sebacic acid, geranyl isobutyl ester
SpectraBase Compound ID 6yp38OITrUs
InChI InChI=1S/C24H42O4/c1-20(2)13-12-14-22(5)17-18-27-23(25)15-10-8-6-7-9-11-16-24(26)28-19-21(3)4/h13,17,21H,6-12,14-16,18-19H2,1-5H3/b22-17+
InChIKey JMWDXLBOPAWUOD-OQKWZONESA-N
Mol Weight 394.6 g/mol
Molecular Formula C24H42O4
Exact Mass 394.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jN0dMJbOg8
Name Sebacic acid, geranyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.308309828 u
Formula C24H42O4
InChI InChI=1S/C24H42O4/c1-20(2)13-12-14-22(5)17-18-27-23(25)15-10-8-6-7-9-11-16-24(26)28-19-21(3)4/h13,17,21H,6-12,14-16,18-19H2,1-5H3/b22-17+
InChIKey JMWDXLBOPAWUOD-OQKWZONESA-N
Molecular Weight 394.596 g/mol
SMILES C(=CCC\C(=C\COC(CCCCCCCCC(OCC(C)C)=O)=O)C)(C)C