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Glutaric acid, (cyclohex-3-enyl)methyl 3-methylbut-2-yl ester

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

Glutaric acid, (cyclohex-3-enyl)methyl 3-methylbut-2-yl ester
SpectraBase Compound ID EiK49TiQnWm
InChI InChI=1S/C17H28O4/c1-13(2)14(3)21-17(19)11-7-10-16(18)20-12-15-8-5-4-6-9-15/h4-5,13-15H,6-12H2,1-3H3
InChIKey BADOUWWRKUBXRJ-UHFFFAOYSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E0fo2StLk60
Name Glutaric acid, (cyclohex-3-enyl)methyl 3-methylbut-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.198759378 u
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-13(2)14(3)21-17(19)11-7-10-16(18)20-12-15-8-5-4-6-9-15/h4-5,13-15H,6-12H2,1-3H3
InChIKey BADOUWWRKUBXRJ-UHFFFAOYSA-N
Molecular Weight 296.407 g/mol
SMILES C(CCC(OC(C(C)C)C)=O)C(OCC1CC=CCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883535