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Glutaric acid, hex-4-yn-3-yl trans-hex-3-enyl ester

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

Glutaric acid, hex-4-yn-3-yl trans-hex-3-enyl ester
SpectraBase Compound ID IhBxevY0DrA
InChI InChI=1S/C17H26O4/c1-4-7-8-9-14-20-16(18)12-10-13-17(19)21-15(6-3)11-5-2/h7-8,15H,4,6,9-10,12-14H2,1-3H3/b8-7+
InChIKey SWOXRQBHHSGLHO-BQYQJAHWSA-N
Mol Weight 294.39 g/mol
Molecular Formula C17H26O4
Exact Mass 294.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H1X4ieC0Myt
Name Glutaric acid, hex-4-yn-3-yl trans-hex-3-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.183109313 u
Formula C17H26O4
InChI InChI=1S/C17H26O4/c1-4-7-8-9-14-20-16(18)12-10-13-17(19)21-15(6-3)11-5-2/h7-8,15H,4,6,9-10,12-14H2,1-3H3/b8-7+
InChIKey SWOXRQBHHSGLHO-BQYQJAHWSA-N
SMILES C(CCC(OC(CC)C#CC)=O)C(OCC\C=C\CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961381