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Glutaric acid, di(3,5-dimethylcyclohexyl) ester

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

Glutaric acid, di(3,5-dimethylcyclohexyl) ester
SpectraBase Compound ID 5VqueCJzyFZ
InChI InChI=1S/C21H36O4/c1-14-8-15(2)11-18(10-14)24-20(22)6-5-7-21(23)25-19-12-16(3)9-17(4)13-19/h14-19H,5-13H2,1-4H3
InChIKey SSMLRCVHYKFROE-UHFFFAOYSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JmP5nwmdWMC
Name Glutaric acid, di(3,5-dimethylcyclohexyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.261359635 u
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-14-8-15(2)11-18(10-14)24-20(22)6-5-7-21(23)25-19-12-16(3)9-17(4)13-19/h14-19H,5-13H2,1-4H3
InChIKey SSMLRCVHYKFROE-UHFFFAOYSA-N
Molecular Weight 352.515 g/mol
SMILES C(CCC(OC1CC(C)CC(C)C1)=O)C(OC1CC(C)CC(C)C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911685