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1,2-Cyclohexanedicarboxylic acid, diisopropyl ester

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

1,2-Cyclohexanedicarboxylic acid, diisopropyl ester
SpectraBase Compound ID AUjikBi0wMD
InChI InChI=1S/C14H24O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h9-12H,5-8H2,1-4H3
InChIKey HFVJRYILMUSLFV-UHFFFAOYSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9mlmr5NMSmT
Name 1,2-Cyclohexanedicarboxylic acid, diisopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.167459249 u
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h9-12H,5-8H2,1-4H3
InChIKey HFVJRYILMUSLFV-UHFFFAOYSA-N
Molecular Weight 256.342 g/mol
SMILES C(C1CCCCC1C(=O)OC(C)C)(=O)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965413