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Glutaric acid, 3-methylbut-2-en-1-yl hex-4-yn-3-yl ester

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

Glutaric acid, 3-methylbut-2-en-1-yl hex-4-yn-3-yl ester
SpectraBase Compound ID G5VRIb1ROtM
InChI InChI=1S/C16H24O4/c1-5-8-14(6-2)20-16(18)10-7-9-15(17)19-12-11-13(3)4/h11,14H,6-7,9-10,12H2,1-4H3
InChIKey JCFQXMXZIZYBOK-UHFFFAOYSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EHvj3xuVqzr
Name Glutaric acid, 3-methylbut-2-en-1-yl hex-4-yn-3-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.167459249 u
Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-5-8-14(6-2)20-16(18)10-7-9-15(17)19-12-11-13(3)4/h11,14H,6-7,9-10,12H2,1-4H3
InChIKey JCFQXMXZIZYBOK-UHFFFAOYSA-N
SMILES C(CCC(OCC=C(C)C)=O)C(OC(CC)C#CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929471