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Pimelic acid, 3-(2-methoxyethyl)heptyl undecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 3-(2-methoxyethyl)heptyl undecyl ester
SpectraBase Compound ID GbyF18o2hSr
InChI InChI=1S/C28H54O5/c1-4-6-8-9-10-11-12-13-17-23-32-27(29)19-15-14-16-20-28(30)33-25-22-26(18-7-5-2)21-24-31-3/h26H,4-25H2,1-3H3
InChIKey BBYYIPGXDVFCOJ-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 CDeFwTYUDbD
Name Pimelic acid, 3-(2-methoxyethyl)heptyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 470.397124834 u
Formula C28H54O5
InChI InChI=1S/C28H54O5/c1-4-6-8-9-10-11-12-13-17-23-32-27(29)19-15-14-16-20-28(30)33-25-22-26(18-7-5-2)21-24-31-3/h26H,4-25H2,1-3H3
InChIKey BBYYIPGXDVFCOJ-UHFFFAOYSA-N
Molecular Weight 470.735 g/mol
SMILES C(OCCC(CCOC)CCCC)(=O)CCCCCC(OCCCCCCCCCCC)=O