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1,2-Cyclohexanedicarboxylic acid, furfuryl tetradecyl ester

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

1,2-Cyclohexanedicarboxylic acid, furfuryl tetradecyl ester
SpectraBase Compound ID LKxG6i07m2N
InChI InChI=1S/C27H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-31-26(28)24-18-13-14-19-25(24)27(29)32-22-23-17-16-21-30-23/h23-25H,2-22H2,1H3
InChIKey JGQRHRPBYPAEOA-UHFFFAOYSA-N
Mol Weight 452.7 g/mol
Molecular Formula C27H48O5
Exact Mass 452.350175 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4bNQ1FShF3q
Name 1,2-Cyclohexanedicarboxylic acid, furfuryl tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.350174641 u
Formula C27H48O5
InChI InChI=1S/C27H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-31-26(28)24-18-13-14-19-25(24)27(29)32-22-23-17-16-21-30-23/h23-25H,2-22H2,1H3
InChIKey JGQRHRPBYPAEOA-UHFFFAOYSA-N
Molecular Weight 452.676 g/mol
SMILES CCCCCCCCCCCCCCOC(C1C(C(=O)OCC2OCCC2)CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902123