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Diethyl alpha-(cis-2-hexen-1-yl)-glutarate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Diethyl alpha-(cis-2-hexen-1-yl)-glutarate
SpectraBase Compound ID JyFwUekXQy
InChI InChI=1S/C15H26O4/c1-4-7-8-9-10-13(15(17)19-6-3)11-12-14(16)18-5-2/h8-9,13H,4-7,10-12H2,1-3H3/b9-8-
InChIKey HFUJWFYWSPODNA-HJWRWDBZSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GdBC2GsO3wu
Name Diethyl alpha-(cis-2-hexen-1-yl)-glutarate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.183109313 u
Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-4-7-8-9-10-13(15(17)19-6-3)11-12-14(16)18-5-2/h8-9,13H,4-7,10-12H2,1-3H3/b9-8-
InChIKey HFUJWFYWSPODNA-HJWRWDBZSA-N
Molecular Weight 270.369 g/mol
SMILES CCC\C=C/CC(CCC(OCC)=O)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976809