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Sebacic acid, decyl 3-propylphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 3-propylphenyl ester
SpectraBase Compound ID LH5TCN9sizy
InChI InChI=1S/C29H48O4/c1-3-5-6-7-8-11-14-19-25-32-28(30)23-15-12-9-10-13-16-24-29(31)33-27-22-18-17-21-26(27)20-4-2/h17-18,21-22H,3-16,19-20,23-25H2,1-2H3
InChIKey JMMBUQKGECSSHM-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IJ01gboqRtz
Name Sebacic acid, decyl 3-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-3-5-6-7-8-11-14-19-25-32-28(30)23-15-12-9-10-13-16-24-29(31)33-27-22-18-17-21-26(27)20-4-2/h17-18,21-22H,3-16,19-20,23-25H2,1-2H3
InChIKey JMMBUQKGECSSHM-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(CCCCCCCCC(OCCCCCCCCCC)=O)(OC=1C(CCC)=CC=CC1)=O