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Glutaric acid, non-5-yn-3-yl propyl ester

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

Glutaric acid, non-5-yn-3-yl propyl ester
SpectraBase Compound ID I4aGDD2jrbL
InChI InChI=1S/C17H28O4/c1-4-7-8-9-11-15(6-3)21-17(19)13-10-12-16(18)20-14-5-2/h15H,4-7,10-14H2,1-3H3
InChIKey TUXLYNWZTHAAQB-UHFFFAOYSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6O5ZGYbsU5W
Name Glutaric acid, non-5-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 296.198759378 u
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-4-7-8-9-11-15(6-3)21-17(19)13-10-12-16(18)20-14-5-2/h15H,4-7,10-14H2,1-3H3
InChIKey TUXLYNWZTHAAQB-UHFFFAOYSA-N
Molecular Weight 296.407 g/mol
SMILES CCC(OC(CCCC(OCCC)=O)=O)CC#CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967045