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Sebacic acid, 5-methoxy-3-methylpentyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 5-methoxy-3-methylpentyl undecyl ester
SpectraBase Compound ID 8ct3dOh0998
InChI InChI=1S/C28H54O5/c1-4-5-6-7-8-9-12-15-18-23-32-27(29)19-16-13-10-11-14-17-20-28(30)33-25-22-26(2)21-24-31-3/h26H,4-25H2,1-3H3
InChIKey MTLINFLFZDWHQR-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 5BM96h9LMuX
Name Sebacic acid, 5-methoxy-3-methylpentyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.397124834 u
Formula C28H54O5
InChI InChI=1S/C28H54O5/c1-4-5-6-7-8-9-12-15-18-23-32-27(29)19-16-13-10-11-14-17-20-28(30)33-25-22-26(2)21-24-31-3/h26H,4-25H2,1-3H3
InChIKey MTLINFLFZDWHQR-UHFFFAOYSA-N
Molecular Weight 470.735 g/mol
SMILES C(CCCCCCCCC(OCCCCCCCCCCC)=O)(OCCC(C)CCOC)=O