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

*Links on SpectraBase are not permalinks.

Glutaric acid, tridec-2-yn-1-yl 2,6-dimethoxyphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, tridec-2-yn-1-yl 2,6-dimethoxyphenyl ester
SpectraBase Compound ID 9ovEFVVtFgh
InChI InChI=1S/C26H38O6/c1-4-5-6-7-8-9-10-11-12-13-14-21-31-24(27)19-16-20-25(28)32-26-22(29-2)17-15-18-23(26)30-3/h15,17-18H,4-12,16,19-21H2,1-3H3
InChIKey VRPKZCCCNSXSGP-UHFFFAOYSA-N
Mol Weight 446.6 g/mol
Molecular Formula C26H38O6
Exact Mass 446.266839 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 7ZYshB6jkfX
Name Glutaric acid, tridec-2-yn-1-yl 2,6-dimethoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.266838938 u
Formula C26H38O6
InChI InChI=1S/C26H38O6/c1-4-5-6-7-8-9-10-11-12-13-14-21-31-24(27)19-16-20-25(28)32-26-22(29-2)17-15-18-23(26)30-3/h15,17-18H,4-12,16,19-21H2,1-3H3
InChIKey VRPKZCCCNSXSGP-UHFFFAOYSA-N
Molecular Weight 446.584 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OC1=C(C=CC=C1OC)OC)=O