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Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl undecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl undecyl ester
SpectraBase Compound ID 29VphnU7eBo
InChI InChI=1S/C27H46O4/c1-6-8-9-10-11-12-13-14-15-22-30-26(28)18-16-19-27(29)31-25(21-20-23(3)4)24(5)17-7-2/h24-25H,3,6-19,22H2,1-2,4-5H3
InChIKey DDQLKVUTLIDFPQ-UHFFFAOYSA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O4
Exact Mass 434.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DnECpRK0WrO
Name Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 434.339609957 u
Formula C27H46O4
InChI InChI=1S/C27H46O4/c1-6-8-9-10-11-12-13-14-15-22-30-26(28)18-16-19-27(29)31-25(21-20-23(3)4)24(5)17-7-2/h24-25H,3,6-19,22H2,1-2,4-5H3
InChIKey DDQLKVUTLIDFPQ-UHFFFAOYSA-N
Molecular Weight 434.661 g/mol
SMILES C=C(C#CC(OC(CCCC(OCCCCCCCCCCC)=O)=O)C(CCC)C)C