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

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

Glutaric acid, hex-4-yn-3-yl propyl ester
SpectraBase Compound ID IGvAz4M5sHV
InChI InChI=1S/C14H22O4/c1-4-8-12(6-3)18-14(16)10-7-9-13(15)17-11-5-2/h12H,5-7,9-11H2,1-3H3
InChIKey FNGIVOGZPOXAIM-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

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SpectraBase Spectrum ID nwGyXUPIqv
Name Glutaric acid, hex-4-yn-3-yl propyl 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/c1-4-8-12(6-3)18-14(16)10-7-9-13(15)17-11-5-2/h12H,5-7,9-11H2,1-3H3
InChIKey FNGIVOGZPOXAIM-UHFFFAOYSA-N
Molecular Weight 254.326 g/mol
SMILES CCC(OC(CCCC(OCCC)=O)=O)C#CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916661