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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentyl ester
SpectraBase Compound ID 43P8jgPK2di
InChI InChI=1S/C22H36O4/c1-8-11-12-15-25-20(23)22(9-2,10-3)21(24)26-19(16-18(6)7)14-13-17(4)5/h18-19H,4,8-12,15-16H2,1-3,5-7H3
InChIKey VHMSNHROJHNMDO-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 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 FPUPanzSOHb
Name Diethylmalonic acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.261359635 u
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-8-11-12-15-25-20(23)22(9-2,10-3)21(24)26-19(16-18(6)7)14-13-17(4)5/h18-19H,4,8-12,15-16H2,1-3,5-7H3
InChIKey VHMSNHROJHNMDO-UHFFFAOYSA-N
Molecular Weight 364.526 g/mol
SMILES C(C(C(OCCCCC)=O)(CC)CC)(OC(CC(C)C)C#CC(=C)C)=O