For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, isopropyl octyl ester

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

1,2-Cyclohexanedicarboxylic acid, isopropyl octyl ester
SpectraBase Compound ID 3H9walwPKN8
InChI InChI=1S/C19H34O4/c1-4-5-6-7-8-11-14-22-18(20)16-12-9-10-13-17(16)19(21)23-15(2)3/h15-17H,4-14H2,1-3H3
InChIKey HHANRNKULFOKAA-UHFFFAOYSA-N
Mol Weight 326.5 g/mol
Molecular Formula C19H34O4
Exact Mass 326.24571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5pTrNtifNkc
Name 1,2-Cyclohexanedicarboxylic acid, isopropyl octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.245709571 u
Formula C19H34O4
InChI InChI=1S/C19H34O4/c1-4-5-6-7-8-11-14-22-18(20)16-12-9-10-13-17(16)19(21)23-15(2)3/h15-17H,4-14H2,1-3H3
InChIKey HHANRNKULFOKAA-UHFFFAOYSA-N
Molecular Weight 326.477 g/mol
SMILES CCCCCCCCOC(C1C(C(=O)OC(C)C)CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900307