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Fumaric acid, 2-methoxyethyl pentyl ester

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

Fumaric acid, 2-methoxyethyl pentyl ester
SpectraBase Compound ID Tz29fEFjuY
InChI InChI=1S/C12H20O5/c1-3-4-5-8-16-11(13)6-7-12(14)17-10-9-15-2/h6-7H,3-5,8-10H2,1-2H3/b7-6+
InChIKey KXTZOFZPJLZEAO-VOTSOKGWSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DHHuEx340xf
Name Fumaric acid, 2-methoxyethyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.131073739 u
Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-3-4-5-8-16-11(13)6-7-12(14)17-10-9-15-2/h6-7H,3-5,8-10H2,1-2H3/b7-6+
InChIKey KXTZOFZPJLZEAO-VOTSOKGWSA-N
Molecular Weight 244.287 g/mol
SMILES C(\C=C\C(OCCCCC)=O)(OCCOC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918451