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1,2-Cyclohexanedicarboxylic acid, furfuryl pentyl ester

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

1,2-Cyclohexanedicarboxylic acid, furfuryl pentyl ester
SpectraBase Compound ID JPRasORpaSq
InChI InChI=1S/C18H30O5/c1-2-3-6-11-22-17(19)15-9-4-5-10-16(15)18(20)23-13-14-8-7-12-21-14/h14-16H,2-13H2,1H3
InChIKey OVGAWYBUXLBPPX-UHFFFAOYSA-N
Mol Weight 326.43 g/mol
Molecular Formula C18H30O5
Exact Mass 326.209324 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9U324YwSvpk
Name 1,2-Cyclohexanedicarboxylic acid, furfuryl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.209324061 u
Formula C18H30O5
InChI InChI=1S/C18H30O5/c1-2-3-6-11-22-17(19)15-9-4-5-10-16(15)18(20)23-13-14-8-7-12-21-14/h14-16H,2-13H2,1H3
InChIKey OVGAWYBUXLBPPX-UHFFFAOYSA-N
Molecular Weight 326.433 g/mol
SMILES CCCCCOC(C1C(C(=O)OCC2OCCC2)CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800174