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

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

Glutaric acid, hex-2-en-1-yl 3-methylbut-2-en-1-yl ester
SpectraBase Compound ID 3kmuDQ4Yg6d
InChI InChI=1S/C16H26O4/c1-4-5-6-7-12-19-15(17)9-8-10-16(18)20-13-11-14(2)3/h6-7,11H,4-5,8-10,12-13H2,1-3H3/b7-6+
InChIKey XUSBHGXYILGJPO-VOTSOKGWSA-N
Mol Weight 282.38 g/mol
Molecular Formula C16H26O4
Exact Mass 282.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9uBhdcKTaAj
Name Glutaric acid, hex-2-en-1-yl 3-methylbut-2-en-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.183109313 u
Formula C16H26O4
InChI InChI=1S/C16H26O4/c1-4-5-6-7-12-19-15(17)9-8-10-16(18)20-13-11-14(2)3/h6-7,11H,4-5,8-10,12-13H2,1-3H3/b7-6+
InChIKey XUSBHGXYILGJPO-VOTSOKGWSA-N
SMILES C(CCC(OCC=C(C)C)=O)C(OC\C=C\CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874758