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Sebacic acid, 4-methoxybenzyl octyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-methoxybenzyl octyl ester
SpectraBase Compound ID 2LarG7KlBCr
InChI InChI=1S/C26H42O5/c1-3-4-5-6-11-14-21-30-25(27)15-12-9-7-8-10-13-16-26(28)31-22-23-17-19-24(29-2)20-18-23/h17-20H,3-16,21-22H2,1-2H3
InChIKey NESSUINXQIXGNF-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C26H42O5
Exact Mass 434.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID oHGJoIrYkW
Name Sebacic acid, 4-methoxybenzyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 434.303224447 u
Formula C26H42O5
InChI InChI=1S/C26H42O5/c1-3-4-5-6-11-14-21-30-25(27)15-12-9-7-8-10-13-16-26(28)31-22-23-17-19-24(29-2)20-18-23/h17-20H,3-16,21-22H2,1-2H3
InChIKey NESSUINXQIXGNF-UHFFFAOYSA-N
Molecular Weight 434.617 g/mol
SMILES C(CCCCCCC(OCC1=CC=C(OC)C=C1)=O)CC(OCCCCCCCC)=O