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

View entire compound with spectra: 1 NMR

Glutaric acid, 2-methyloct-5-yn-4-yl undecyl ester
SpectraBase Compound ID JvY2tnaj3J4
InChI InChI=1S/C25H44O4/c1-5-7-9-10-11-12-13-14-15-20-28-24(26)18-16-19-25(27)29-23(17-8-6-2)21-22(3)4/h22-23H,5-7,9-16,18-21H2,1-4H3
InChIKey OGACGLKZJGKJGV-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H44O4
Exact Mass 408.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LEQKZoYtKjP
Name Glutaric acid, 2-methyloct-5-yn-4-yl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.323959893 u
Formula C25H44O4
InChI InChI=1S/C25H44O4/c1-5-7-9-10-11-12-13-14-15-20-28-24(26)18-16-19-25(27)29-23(17-8-6-2)21-22(3)4/h22-23H,5-7,9-16,18-21H2,1-4H3
InChIKey OGACGLKZJGKJGV-UHFFFAOYSA-N
Molecular Weight 408.623 g/mol
SMILES CC(CC(OC(CCCC(OCCCCCCCCCCC)=O)=O)C#CCC)C