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Glutaric acid, 3-methylbut-2-yl trans-hex-3-enyl ester

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

Glutaric acid, 3-methylbut-2-yl trans-hex-3-enyl ester
SpectraBase Compound ID 2haGQEAVyqu
InChI InChI=1S/C16H28O4/c1-5-6-7-8-12-19-15(17)10-9-11-16(18)20-14(4)13(2)3/h6-7,13-14H,5,8-12H2,1-4H3/b7-6+
InChIKey FOLXMVLHAQNFMZ-VOTSOKGWSA-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 D2aI6LhnMMo
Name Glutaric acid, 3-methylbut-2-yl trans-hex-3-enyl 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/c1-5-6-7-8-12-19-15(17)10-9-11-16(18)20-14(4)13(2)3/h6-7,13-14H,5,8-12H2,1-4H3/b7-6+
InChIKey FOLXMVLHAQNFMZ-VOTSOKGWSA-N
SMILES C(CCC(OC(C(C)C)C)=O)C(OCC\C=C\CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935877