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

View entire compound with spectra: 1 NMR

Pimelic acid, 5-methoxy-3-methylpent-2-yl undecyl ester
SpectraBase Compound ID 7SKp5qyk2Dh
InChI InChI=1S/C25H48O5/c1-5-6-7-8-9-10-11-12-16-20-29-24(26)17-14-13-15-18-25(27)30-23(3)22(2)19-21-28-4/h22-23H,5-21H2,1-4H3
InChIKey VHXKKIGQFQANQS-UHFFFAOYSA-N
Mol Weight 428.7 g/mol
Molecular Formula C25H48O5
Exact Mass 428.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 38gbSJO1cdP
Name Pimelic acid, 5-methoxy-3-methylpent-2-yl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.350174641 u
Formula C25H48O5
InChI InChI=1S/C25H48O5/c1-5-6-7-8-9-10-11-12-16-20-29-24(26)17-14-13-15-18-25(27)30-23(3)22(2)19-21-28-4/h22-23H,5-21H2,1-4H3
InChIKey VHXKKIGQFQANQS-UHFFFAOYSA-N
Molecular Weight 428.654 g/mol
SMILES C(OC(C(C)CCOC)C)(=O)CCCCCC(OCCCCCCCCCCC)=O