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

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

Glutaric acid, 3-methylbut-2-en-1-yl 4-methylpent-2-yl ester
SpectraBase Compound ID 82JBqALAKVO
InChI InChI=1S/C16H28O4/c1-12(2)9-10-19-15(17)7-6-8-16(18)20-14(5)11-13(3)4/h9,13-14H,6-8,10-11H2,1-5H3
InChIKey HGXKVKFNAFHIST-UHFFFAOYSA-N
Mol Weight 284.4 g/mol
Molecular Formula C16H28O4
Exact Mass 284.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 58FaPAm46Gn
Name Glutaric acid, 3-methylbut-2-en-1-yl 4-methylpent-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.198759378 u
Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-12(2)9-10-19-15(17)7-6-8-16(18)20-14(5)11-13(3)4/h9,13-14H,6-8,10-11H2,1-5H3
InChIKey HGXKVKFNAFHIST-UHFFFAOYSA-N
SMILES C(CCC(OC(C)CC(C)C)=O)C(OCC=C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865732