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Sebacic acid, 3-ethylphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3-ethylphenyl tetradecyl ester
SpectraBase Compound ID 7P7ZDGDXFkY
InChI InChI=1S/C32H54O4/c1-3-5-6-7-8-9-10-11-12-15-18-21-27-35-31(33)25-19-16-13-14-17-20-26-32(34)36-30-24-22-23-29(4-2)28-30/h22-24,28H,3-21,25-27H2,1-2H3
InChIKey USLPKCMURBRCDB-UHFFFAOYSA-N
Mol Weight 502.8 g/mol
Molecular Formula C32H54O4
Exact Mass 502.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3PXVa7Ftcbb
Name Sebacic acid, 3-ethylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 502.402210215 u
Formula C32H54O4
InChI InChI=1S/C32H54O4/c1-3-5-6-7-8-9-10-11-12-15-18-21-27-35-31(33)25-19-16-13-14-17-20-26-32(34)36-30-24-22-23-29(4-2)28-30/h22-24,28H,3-21,25-27H2,1-2H3
InChIKey USLPKCMURBRCDB-UHFFFAOYSA-N
Molecular Weight 502.780 g/mol
SMILES C(CCCCCC(OC1=CC(CC)=CC=C1)=O)CCC(OCCCCCCCCCCCCCC)=O