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Sebacic acid, 2-(2-methoxyethyl)heptyl octyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-(2-methoxyethyl)heptyl octyl ester
SpectraBase Compound ID 9CyPgA67L1V
InChI InChI=1S/C28H54O5/c1-4-6-8-9-14-18-23-32-27(29)20-16-12-10-11-13-17-21-28(30)33-25-26(22-24-31-3)19-15-7-5-2/h26H,4-25H2,1-3H3
InChIKey VABSLKCCSHBLRL-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C28H54O5
Exact Mass 470.397125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FkXmJPITxKj
Name Sebacic acid, 2-(2-methoxyethyl)heptyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 470.397124834 u
Formula C28H54O5
InChI InChI=1S/C28H54O5/c1-4-6-8-9-14-18-23-32-27(29)20-16-12-10-11-13-17-21-28(30)33-25-26(22-24-31-3)19-15-7-5-2/h26H,4-25H2,1-3H3
InChIKey VABSLKCCSHBLRL-UHFFFAOYSA-N
Molecular Weight 470.735 g/mol
SMILES C(CCCCCC(OCC(CCOC)CCCCC)=O)CCC(OCCCCCCCC)=O