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

View entire compound with spectra: 1 NMR

Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl tetradecyl ester
SpectraBase Compound ID 6UT8u6lTjKo
InChI InChI=1S/C26H48O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-31-24(27)17-16-18-25(28)32-22-26(4-2)20-29-23-30-21-26/h3-23H2,1-2H3
InChIKey ZPVFJSYOYAANMW-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C26H48O6
Exact Mass 456.345089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G54m2ehh6yz
Name Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.345089260 u
Formula C26H48O6
InChI InChI=1S/C26H48O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-31-24(27)17-16-18-25(28)32-22-26(4-2)20-29-23-30-21-26/h3-23H2,1-2H3
InChIKey ZPVFJSYOYAANMW-UHFFFAOYSA-N
Molecular Weight 456.664 g/mol
SMILES C(C1(COCOC1)CC)OC(=O)CCCC(OCCCCCCCCCCCCCC)=O