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Sebacic acid, hexadecyl octyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, hexadecyl octyl ester
SpectraBase Compound ID AxvEz8EsPrM
InChI InChI=1S/C34H66O4/c1-3-5-7-9-11-12-13-14-15-16-17-20-24-28-32-38-34(36)30-26-22-19-18-21-25-29-33(35)37-31-27-23-10-8-6-4-2/h3-32H2,1-2H3
InChIKey IYBPCHVAEDUKTR-UHFFFAOYSA-N
Mol Weight 538.9 g/mol
Molecular Formula C34H66O4
Exact Mass 538.496111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ar6HVNd6sFG
Name Sebacic acid, hexadecyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 538.496110601 u
Formula C34H66O4
InChI InChI=1S/C34H66O4/c1-3-5-7-9-11-12-13-14-15-16-17-20-24-28-32-38-34(36)30-26-22-19-18-21-25-29-33(35)37-31-27-23-10-8-6-4-2/h3-32H2,1-2H3
InChIKey IYBPCHVAEDUKTR-UHFFFAOYSA-N
Molecular Weight 538.898 g/mol
SMILES C(CCCCCC(OCCCCCCCC)=O)CCC(OCCCCCCCCCCCCCCCC)=O