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Adipic acid, 2-cyclohexylethyl isohexyl ester

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

Adipic acid, 2-cyclohexylethyl isohexyl ester
SpectraBase Compound ID 8hlLGDCUFrF
InChI InChI=1S/C20H36O4/c1-17(2)9-8-15-23-19(21)12-6-7-13-20(22)24-16-14-18-10-4-3-5-11-18/h17-18H,3-16H2,1-2H3
InChIKey DCDBJKSYYKGLQZ-UHFFFAOYSA-N
Mol Weight 340.5 g/mol
Molecular Formula C20H36O4
Exact Mass 340.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KNQ9qbGdAti
Name Adipic acid, 2-cyclohexylethyl isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.261359635 u
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-17(2)9-8-15-23-19(21)12-6-7-13-20(22)24-16-14-18-10-4-3-5-11-18/h17-18H,3-16H2,1-2H3
InChIKey DCDBJKSYYKGLQZ-UHFFFAOYSA-N
Molecular Weight 340.504 g/mol
SMILES C(CC(=O)OCCC1CCCCC1)CCC(OCCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911893