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Pimelic acid, 5-methoxy-3-methylpent-2-yl pentadecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 5-methoxy-3-methylpent-2-yl pentadecyl ester
SpectraBase Compound ID HPNVyb52Mja
InChI InChI=1S/C29H56O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-24-33-28(30)21-18-17-19-22-29(31)34-27(3)26(2)23-25-32-4/h26-27H,5-25H2,1-4H3
InChIKey BKTINWQNMXBDEN-UHFFFAOYSA-N
Mol Weight 484.8 g/mol
Molecular Formula C29H56O5
Exact Mass 484.412775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1eRrU78MKu
Name Pimelic acid, 5-methoxy-3-methylpent-2-yl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.412774898 u
Formula C29H56O5
InChI InChI=1S/C29H56O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-24-33-28(30)21-18-17-19-22-29(31)34-27(3)26(2)23-25-32-4/h26-27H,5-25H2,1-4H3
InChIKey BKTINWQNMXBDEN-UHFFFAOYSA-N
Molecular Weight 484.762 g/mol
SMILES C(OC(C(C)CCOC)C)(=O)CCCCCC(OCCCCCCCCCCCCCCC)=O