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Fumaric acid, butyl pent-4-enyl ester

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

Fumaric acid, butyl pent-4-enyl ester
SpectraBase Compound ID Fvlvel6JMpy
InChI InChI=1S/C13H20O4/c1-3-5-7-11-17-13(15)9-8-12(14)16-10-6-4-2/h3,8-9H,1,4-7,10-11H2,2H3/b9-8+
InChIKey UPWPLXAPKLFNSX-CMDGGOBGSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Co293w14EtA
Name Fumaric acid, butyl pent-4-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.136159120 u
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-3-5-7-11-17-13(15)9-8-12(14)16-10-6-4-2/h3,8-9H,1,4-7,10-11H2,2H3/b9-8+
InChIKey UPWPLXAPKLFNSX-CMDGGOBGSA-N
Molecular Weight 240.299 g/mol
SMILES C(\C=C\C(OCCCC)=O)(OCCCC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974813