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Glutaric acid, 2-methyloct-5-yn-4-yl tridecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-methyloct-5-yn-4-yl tridecyl ester
SpectraBase Compound ID 1GdnegNdsaB
InChI InChI=1S/C27H48O4/c1-5-7-9-10-11-12-13-14-15-16-17-22-30-26(28)20-18-21-27(29)31-25(19-8-6-2)23-24(3)4/h24-25H,5-7,9-18,20-23H2,1-4H3
InChIKey AICDJIZHJMBBHJ-UHFFFAOYSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H48O4
Exact Mass 436.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HeWX8CPY8cd
Name Glutaric acid, 2-methyloct-5-yn-4-yl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.355260022 u
Formula C27H48O4
InChI InChI=1S/C27H48O4/c1-5-7-9-10-11-12-13-14-15-16-17-22-30-26(28)20-18-21-27(29)31-25(19-8-6-2)23-24(3)4/h24-25H,5-7,9-18,20-23H2,1-4H3
InChIKey AICDJIZHJMBBHJ-UHFFFAOYSA-N
Molecular Weight 436.677 g/mol
SMILES CC(CC(OC(CCCC(OCCCCCCCCCCCCC)=O)=O)C#CCC)C