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Sebacic acid, 4-methoxybenzyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-methoxybenzyl nonyl ester
SpectraBase Compound ID GVP9ZEJ2ClA
InChI InChI=1S/C27H44O5/c1-3-4-5-6-9-12-15-22-31-26(28)16-13-10-7-8-11-14-17-27(29)32-23-24-18-20-25(30-2)21-19-24/h18-21H,3-17,22-23H2,1-2H3
InChIKey DZASNAJABIKVRV-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C27H44O5
Exact Mass 448.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A8WoPisop4z
Name Sebacic acid, 4-methoxybenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 448.318874512 u
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-3-4-5-6-9-12-15-22-31-26(28)16-13-10-7-8-11-14-17-27(29)32-23-24-18-20-25(30-2)21-19-24/h18-21H,3-17,22-23H2,1-2H3
InChIKey DZASNAJABIKVRV-UHFFFAOYSA-N
Molecular Weight 448.644 g/mol
SMILES C(CCCCCCC(OCC1=CC=C(OC)C=C1)=O)CC(OCCCCCCCCC)=O