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

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

Glutaric acid, 3-methylbut-2-en-1-yl 2-methylpent-3-yl ester
SpectraBase Compound ID AWikgHDVzkz
InChI InChI=1S/C16H28O4/c1-6-14(13(4)5)20-16(18)9-7-8-15(17)19-11-10-12(2)3/h10,13-14H,6-9,11H2,1-5H3
InChIKey VWGRBGVGBTUPIV-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 ISylKWqnVs6
Name Glutaric acid, 3-methylbut-2-en-1-yl 2-methylpent-3-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/c1-6-14(13(4)5)20-16(18)9-7-8-15(17)19-11-10-12(2)3/h10,13-14H,6-9,11H2,1-5H3
InChIKey VWGRBGVGBTUPIV-UHFFFAOYSA-N
SMILES C(CCC(OCC=C(C)C)=O)C(OC(C(C)C)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829728