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

View entire compound with spectra: 1 NMR

Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl octadecyl ester
SpectraBase Compound ID HY99PHsx69D
InChI InChI=1S/C30H56O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-35-28(31)21-20-22-29(32)36-26-30(4-2)24-33-27-34-25-30/h3-27H2,1-2H3
InChIKey JBTZPCHCIDPJSA-UHFFFAOYSA-N
Mol Weight 512.8 g/mol
Molecular Formula C30H56O6
Exact Mass 512.40769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 52PMneVdi6r
Name Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 512.407689517 u
Formula C30H56O6
InChI InChI=1S/C30H56O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-35-28(31)21-20-22-29(32)36-26-30(4-2)24-33-27-34-25-30/h3-27H2,1-2H3
InChIKey JBTZPCHCIDPJSA-UHFFFAOYSA-N
Molecular Weight 512.772 g/mol
SMILES C(C1(COCOC1)CC)OC(=O)CCCC(OCCCCCCCCCCCCCCCCCC)=O