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

View entire compound with spectra: 1 NMR

Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl hexadecyl ester
SpectraBase Compound ID AUqAC9ipjI4
InChI InChI=1S/C28H52O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33-26(29)19-18-20-27(30)34-24-28(4-2)22-31-25-32-23-28/h3-25H2,1-2H3
InChIKey GVAQAOCKYNTGEM-UHFFFAOYSA-N
Mol Weight 484.7 g/mol
Molecular Formula C28H52O6
Exact Mass 484.376389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4EEcyHcqpzV
Name Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.376389388 u
Formula C28H52O6
InChI InChI=1S/C28H52O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33-26(29)19-18-20-27(30)34-24-28(4-2)22-31-25-32-23-28/h3-25H2,1-2H3
InChIKey GVAQAOCKYNTGEM-UHFFFAOYSA-N
Molecular Weight 484.718 g/mol
SMILES C(C1(COCOC1)CC)OC(=O)CCCC(OCCCCCCCCCCCCCCCC)=O