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1,2-Cyclohexanedicarboxylic acid, dicyclohexyl ester

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

1,2-Cyclohexanedicarboxylic acid, dicyclohexyl ester
SpectraBase Compound ID D8cMoY6p4GA
InChI InChI=1S/C20H32O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h15-18H,1-14H2
InChIKey VKPGBQAXQBOSCY-UHFFFAOYSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KCOJ7EM2CeV
Name 1,2-Cyclohexanedicarboxylic acid, dicyclohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.230059506 u
Formula C20H32O4
InChI InChI=1S/C20H32O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h15-18H,1-14H2
InChIKey VKPGBQAXQBOSCY-UHFFFAOYSA-N
Molecular Weight 336.472 g/mol
SMILES C1CCC(CC1)OC(C1C(C(=O)OC2CCCCC2)CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938166