For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tridecyl ester
SpectraBase Compound ID 2aVo0Q4w9Sc
InChI InChI=1S/C28H48O4/c1-6-7-8-9-10-11-12-13-14-15-16-22-31-27(29)18-17-19-28(30)32-26(23-25(4)5)21-20-24(2)3/h25-26H,2,6-19,22-23H2,1,3-5H3
InChIKey MAUDYUVMELPSTD-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 80Ed6K4s5m5
Name Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tridecyl 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/c1-6-7-8-9-10-11-12-13-14-15-16-22-31-27(29)18-17-19-28(30)32-26(23-25(4)5)21-20-24(2)3/h25-26H,2,6-19,22-23H2,1,3-5H3
InChIKey MAUDYUVMELPSTD-UHFFFAOYSA-N
Molecular Weight 448.688 g/mol
SMILES CC(CC(OC(CCCC(OCCCCCCCCCCCCC)=O)=O)C#CC(=C)C)C