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Fumaric acid, butyl tetrahydrofurfuryl ester

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

Fumaric acid, butyl tetrahydrofurfuryl ester
SpectraBase Compound ID 8zQ4hRapS5y
InChI InChI=1S/C13H20O5/c1-2-3-8-17-12(14)6-7-13(15)18-10-11-5-4-9-16-11/h6-7,11H,2-5,8-10H2,1H3/b7-6+
InChIKey ROAVHCLZDSTKPZ-VOTSOKGWSA-N
Mol Weight 256.3 g/mol
Molecular Formula C13H20O5
Exact Mass 256.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID nXgicjMPRJ
Name Fumaric acid, butyl tetrahydrofurfuryl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.131073739 u
Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-2-3-8-17-12(14)6-7-13(15)18-10-11-5-4-9-16-11/h6-7,11H,2-5,8-10H2,1H3/b7-6+
InChIKey ROAVHCLZDSTKPZ-VOTSOKGWSA-N
Molecular Weight 256.298 g/mol
SMILES CCCCOC(\C=C\C(OCC1CCCO1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977534