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

View entire compound with spectra: 1 NMR

Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl tridecyl ester
SpectraBase Compound ID 7BPGSlyjU4U
InChI InChI=1S/C25H46O6/c1-3-5-6-7-8-9-10-11-12-13-14-18-30-23(26)16-15-17-24(27)31-21-25(4-2)19-28-22-29-20-25/h3-22H2,1-2H3
InChIKey ANMQEQQKIUVEDT-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C25H46O6
Exact Mass 442.329439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLUjMgurlp7
Name Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 442.329439195 u
Formula C25H46O6
InChI InChI=1S/C25H46O6/c1-3-5-6-7-8-9-10-11-12-13-14-18-30-23(26)16-15-17-24(27)31-21-25(4-2)19-28-22-29-20-25/h3-22H2,1-2H3
InChIKey ANMQEQQKIUVEDT-UHFFFAOYSA-N
Molecular Weight 442.637 g/mol
SMILES C(C1(COCOC1)CC)OC(=O)CCCC(OCCCCCCCCCCCCC)=O