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

*Links on SpectraBase are not permalinks.

Adipic acid, ethyl hex-4-yn-3-yl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Adipic acid, ethyl hex-4-yn-3-yl ester
SpectraBase Compound ID 8yBpW0ovXwp
InChI InChI=1S/C14H22O4/c1-4-9-12(5-2)18-14(16)11-8-7-10-13(15)17-6-3/h12H,5-8,10-11H2,1-3H3
InChIKey XPAODUOKSMKDCU-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 5S8vsC5t8kx
Name Adipic acid, ethyl hex-4-yn-3-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.151809184 u
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-4-9-12(5-2)18-14(16)11-8-7-10-13(15)17-6-3/h12H,5-8,10-11H2,1-3H3
InChIKey XPAODUOKSMKDCU-UHFFFAOYSA-N
Molecular Weight 254.326 g/mol
SMILES C(C(=O)OC(CC)C#CC)CCCC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937904