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

View entire compound with spectra: 1 NMR

Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl pentadecyl ester
SpectraBase Compound ID 3aDPqQCGrB5
InChI InChI=1S/C27H50O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-32-25(28)18-17-19-26(29)33-23-27(4-2)21-30-24-31-22-27/h3-24H2,1-2H3
InChIKey VFHUJVOBSKGPOF-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C27H50O6
Exact Mass 470.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AqXadP8ezn3
Name Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 470.360739324 u
Formula C27H50O6
InChI InChI=1S/C27H50O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-32-25(28)18-17-19-26(29)33-23-27(4-2)21-30-24-31-22-27/h3-24H2,1-2H3
InChIKey VFHUJVOBSKGPOF-UHFFFAOYSA-N
Molecular Weight 470.691 g/mol
SMILES C(C1(COCOC1)CC)OC(=O)CCCC(OCCCCCCCCCCCCCCC)=O