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Fumaric acid, 2-ethoxyethyl hexyl ester

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

Fumaric acid, 2-ethoxyethyl hexyl ester
SpectraBase Compound ID 5QFdgPmdwjr
InChI InChI=1S/C14H24O5/c1-3-5-6-7-10-18-13(15)8-9-14(16)19-12-11-17-4-2/h8-9H,3-7,10-12H2,1-2H3/b9-8+
InChIKey BWPRQCPUPWQIRO-CMDGGOBGSA-N
Mol Weight 272.34 g/mol
Molecular Formula C14H24O5
Exact Mass 272.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5AVLfxwFaqd
Name Fumaric acid, 2-ethoxyethyl hexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.162373868 u
Formula C14H24O5
InChI InChI=1S/C14H24O5/c1-3-5-6-7-10-18-13(15)8-9-14(16)19-12-11-17-4-2/h8-9H,3-7,10-12H2,1-2H3/b9-8+
InChIKey BWPRQCPUPWQIRO-CMDGGOBGSA-N
Molecular Weight 272.341 g/mol
SMILES C(\C=C\C(OCCOCC)=O)(OCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865073