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Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl heptadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl heptadecyl ester
SpectraBase Compound ID EWQR4MRBhTb
InChI InChI=1S/C29H54O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34-27(30)20-19-21-28(31)35-25-29(4-2)23-32-26-33-24-29/h3-26H2,1-2H3
InChIKey LOGGKRRJYJHOHP-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C29H54O6
Exact Mass 498.392039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0uscGDyDi5
Name Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.392039453 u
Formula C29H54O6
InChI InChI=1S/C29H54O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34-27(30)20-19-21-28(31)35-25-29(4-2)23-32-26-33-24-29/h3-26H2,1-2H3
InChIKey LOGGKRRJYJHOHP-UHFFFAOYSA-N
Molecular Weight 498.745 g/mol
SMILES C(C1(COCOC1)CC)OC(=O)CCCC(OCCCCCCCCCCCCCCCCC)=O