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Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tetradecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tetradecyl ester
SpectraBase Compound ID 8um9tIFvhY4
InChI InChI=1S/C29H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-23-32-28(30)19-18-20-29(31)33-27(24-26(4)5)22-21-25(2)3/h26-27H,2,6-20,23-24H2,1,3-5H3
InChIKey ZHZHXNTZLZZDPT-UHFFFAOYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C29H50O4
Exact Mass 462.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZxSxM9j8lV
Name Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.370910086 u
Formula C29H50O4
InChI InChI=1S/C29H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-23-32-28(30)19-18-20-29(31)33-27(24-26(4)5)22-21-25(2)3/h26-27H,2,6-20,23-24H2,1,3-5H3
InChIKey ZHZHXNTZLZZDPT-UHFFFAOYSA-N
Molecular Weight 462.715 g/mol
SMILES CC(CC(OC(CCCC(OCCCCCCCCCCCCCC)=O)=O)C#CC(=C)C)C