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Fumaric acid, 2-ethoxyethyl pentyl ester

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

Fumaric acid, 2-ethoxyethyl pentyl ester
SpectraBase Compound ID KuF7nmSI8ut
InChI InChI=1S/C13H22O5/c1-3-5-6-9-17-12(14)7-8-13(15)18-11-10-16-4-2/h7-8H,3-6,9-11H2,1-2H3/b8-7+
InChIKey CZDUWDRCUUYYGV-BQYQJAHWSA-N
Mol Weight 258.31 g/mol
Molecular Formula C13H22O5
Exact Mass 258.146724 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AZHmw7vguta
Name Fumaric acid, 2-ethoxyethyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.146723803 u
Formula C13H22O5
InChI InChI=1S/C13H22O5/c1-3-5-6-9-17-12(14)7-8-13(15)18-11-10-16-4-2/h7-8H,3-6,9-11H2,1-2H3/b8-7+
InChIKey CZDUWDRCUUYYGV-BQYQJAHWSA-N
Molecular Weight 258.314 g/mol
SMILES CCCCCOC(\C=C\C(OCCOCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929209