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

*Links on SpectraBase are not permalinks.

Glutaric acid, tridec-2-yn-1-yl 2-methylhex-3-yl ester

View entire compound with spectra: 1 NMR

Glutaric acid, tridec-2-yn-1-yl 2-methylhex-3-yl ester
SpectraBase Compound ID GQ5M7RphZ8D
InChI InChI=1S/C25H44O4/c1-5-7-8-9-10-11-12-13-14-15-16-21-28-24(26)19-17-20-25(27)29-23(18-6-2)22(3)4/h22-23H,5-14,17-21H2,1-4H3
InChIKey MINHKHDCLHKHON-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H44O4
Exact Mass 408.32396 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 GOC2flvmslz
Name Glutaric acid, tridec-2-yn-1-yl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.323959893 u
Formula C25H44O4
InChI InChI=1S/C25H44O4/c1-5-7-8-9-10-11-12-13-14-15-16-21-28-24(26)19-17-20-25(27)29-23(18-6-2)22(3)4/h22-23H,5-14,17-21H2,1-4H3
InChIKey MINHKHDCLHKHON-UHFFFAOYSA-N
Molecular Weight 408.623 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OC(C(C)C)CCC)=O