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

*Links on SpectraBase are not permalinks.

Glutaric acid, heptadecyl hex-4-yn-3-yl ester

View entire compound with spectra: 1 NMR

Glutaric acid, heptadecyl hex-4-yn-3-yl ester
SpectraBase Compound ID 8OxB2wBRrVb
InChI InChI=1S/C28H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-31-27(29)23-21-24-28(30)32-26(6-3)22-5-2/h26H,4,6-21,23-25H2,1-3H3
InChIKey CAGHCEVQZSTNQB-UHFFFAOYSA-N
Mol Weight 450.7 g/mol
Molecular Formula C28H50O4
Exact Mass 450.37091 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 IXkQYBSiX6q
Name Glutaric acid, heptadecyl hex-4-yn-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.370910086 u
Formula C28H50O4
InChI InChI=1S/C28H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-31-27(29)23-21-24-28(30)32-26(6-3)22-5-2/h26H,4,6-21,23-25H2,1-3H3
InChIKey CAGHCEVQZSTNQB-UHFFFAOYSA-N
Molecular Weight 450.704 g/mol
SMILES CCC(OC(CCCC(OCCCCCCCCCCCCCCCCC)=O)=O)C#CC