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

View entire compound with spectra: 1 NMR

Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl dodecyl ester
SpectraBase Compound ID 8IKPdLDpdnI
InChI InChI=1S/C28H48O4/c1-6-8-9-10-11-12-13-14-15-16-23-31-27(29)19-17-20-28(30)32-26(22-21-24(3)4)25(5)18-7-2/h25-26H,3,6-20,23H2,1-2,4-5H3
InChIKey YEYORMVWJHRRKB-UHFFFAOYSA-N
Mol Weight 448.7 g/mol
Molecular Formula C28H48O4
Exact Mass 448.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6JkrjOvlrtG
Name Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.355260022 u
Formula C28H48O4
InChI InChI=1S/C28H48O4/c1-6-8-9-10-11-12-13-14-15-16-23-31-27(29)19-17-20-28(30)32-26(22-21-24(3)4)25(5)18-7-2/h25-26H,3,6-20,23H2,1-2,4-5H3
InChIKey YEYORMVWJHRRKB-UHFFFAOYSA-N
Molecular Weight 448.688 g/mol
SMILES C=C(C#CC(OC(CCCC(OCCCCCCCCCCCC)=O)=O)C(CCC)C)C