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Pimelic acid, dodecyl 2-(2-methoxyethyl)heptyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, dodecyl 2-(2-methoxyethyl)heptyl ester
SpectraBase Compound ID 5Vi9FQfO0W4
InChI InChI=1S/C29H56O5/c1-4-6-8-9-10-11-12-13-14-19-24-33-28(30)21-17-15-18-22-29(31)34-26-27(23-25-32-3)20-16-7-5-2/h27H,4-26H2,1-3H3
InChIKey QLPNCNXQTYRXDP-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 1DY8L6bULOf
Name Pimelic acid, dodecyl 2-(2-methoxyethyl)heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.412774898 u
Formula C29H56O5
InChI InChI=1S/C29H56O5/c1-4-6-8-9-10-11-12-13-14-19-24-33-28(30)21-17-15-18-22-29(31)34-26-27(23-25-32-3)20-16-7-5-2/h27H,4-26H2,1-3H3
InChIKey QLPNCNXQTYRXDP-UHFFFAOYSA-N
Molecular Weight 484.762 g/mol
SMILES C(OCC(CCOC)CCCCC)(=O)CCCCCC(OCCCCCCCCCCCC)=O