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Glutaric acid, hex-4-yn-3-yl 2-fluoroethyl ester

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

Glutaric acid, hex-4-yn-3-yl 2-fluoroethyl ester
SpectraBase Compound ID 2Jxt447leNc
InChI InChI=1S/C13H19FO4/c1-3-6-11(4-2)18-13(16)8-5-7-12(15)17-10-9-14/h11H,4-5,7-10H2,1-2H3
InChIKey BECHCUNYJRPELH-UHFFFAOYSA-N
Mol Weight 258.29 g/mol
Molecular Formula C13H19FO4
Exact Mass 258.126737 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7xPiDagIALt
Name Glutaric acid, hex-4-yn-3-yl 2-fluoroethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.126737251 u
Formula C13H19FO4
InChI InChI=1S/C13H19FO4/c1-3-6-11(4-2)18-13(16)8-5-7-12(15)17-10-9-14/h11H,4-5,7-10H2,1-2H3
InChIKey BECHCUNYJRPELH-UHFFFAOYSA-N
Molecular Weight 258.289 g/mol
SMILES C(CCC(OC(CC)C#CC)=O)C(OCCF)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893465