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Adipic acid, ethyl non-5-yn-3-yl ester

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

Adipic acid, ethyl non-5-yn-3-yl ester
SpectraBase Compound ID ID8jGlleW3J
InChI InChI=1S/C17H28O4/c1-4-7-8-9-12-15(5-2)21-17(19)14-11-10-13-16(18)20-6-3/h15H,4-7,10-14H2,1-3H3
InChIKey SVYQKEARUTVJJY-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 DiFOgf0PASi
Name Adipic acid, ethyl non-5-yn-3-yl 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/c1-4-7-8-9-12-15(5-2)21-17(19)14-11-10-13-16(18)20-6-3/h15H,4-7,10-14H2,1-3H3
InChIKey SVYQKEARUTVJJY-UHFFFAOYSA-N
Molecular Weight 296.407 g/mol
SMILES C(CCCCC(=O)OC(CC)CC#CCCC)(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966065