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Glutaric acid, 3-methylbut-2-en-1-yl 4-methylcyclohexyl ester

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

Glutaric acid, 3-methylbut-2-en-1-yl 4-methylcyclohexyl ester
SpectraBase Compound ID AHao09lVpOI
InChI InChI=1S/C17H28O4/c1-13(2)11-12-20-16(18)5-4-6-17(19)21-15-9-7-14(3)8-10-15/h11,14-15H,4-10,12H2,1-3H3
InChIKey ZZDNGTIZSJUQHG-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 EqrkAIogcHM
Name Glutaric acid, 3-methylbut-2-en-1-yl 4-methylcyclohexyl 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)11-12-20-16(18)5-4-6-17(19)21-15-9-7-14(3)8-10-15/h11,14-15H,4-10,12H2,1-3H3
InChIKey ZZDNGTIZSJUQHG-UHFFFAOYSA-N
Molecular Weight 296.407 g/mol
SMILES C(CCC(OCC=C(C)C)=O)C(OC1CCC(CC1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.824624