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Fumaric acid, heptyl 2-methoxyethyl ester

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

Fumaric acid, heptyl 2-methoxyethyl ester
SpectraBase Compound ID I49doIobc1E
InChI InChI=1S/C14H24O5/c1-3-4-5-6-7-10-18-13(15)8-9-14(16)19-12-11-17-2/h8-9H,3-7,10-12H2,1-2H3/b9-8+
InChIKey JXNGAKZGNHBWTD-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 3p2VWhw8dlH
Name Fumaric acid, heptyl 2-methoxyethyl 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/c1-3-4-5-6-7-10-18-13(15)8-9-14(16)19-12-11-17-2/h8-9H,3-7,10-12H2,1-2H3/b9-8+
InChIKey JXNGAKZGNHBWTD-CMDGGOBGSA-N
Molecular Weight 272.341 g/mol
SMILES CCCCCCCOC(\C=C\C(OCCOC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811286