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Glutaric acid, 3-methylbut-2-en-1-yl 2-methylpentyl ester

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

Glutaric acid, 3-methylbut-2-en-1-yl 2-methylpentyl ester
SpectraBase Compound ID LJdWElSgit5
InChI InChI=1S/C16H28O4/c1-5-7-14(4)12-20-16(18)9-6-8-15(17)19-11-10-13(2)3/h10,14H,5-9,11-12H2,1-4H3
InChIKey GVDUHUROBXZEDR-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 2qNL3PXaIQ8
Name Glutaric acid, 3-methylbut-2-en-1-yl 2-methylpentyl 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/c1-5-7-14(4)12-20-16(18)9-6-8-15(17)19-11-10-13(2)3/h10,14H,5-9,11-12H2,1-4H3
InChIKey GVDUHUROBXZEDR-UHFFFAOYSA-N
SMILES C(CCC(OCC=C(C)C)=O)C(OCC(CCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.82861