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Fumaric acid, cyclobutyl pentyl ester

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

Fumaric acid, cyclobutyl pentyl ester
SpectraBase Compound ID KH7X130qK9t
InChI InChI=1S/C13H20O4/c1-2-3-4-10-16-12(14)8-9-13(15)17-11-6-5-7-11/h8-9,11H,2-7,10H2,1H3/b9-8+
InChIKey KJHRXBMFJDVKKF-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 CxmwRRurF4t
Name Fumaric acid, cyclobutyl pentyl 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/c1-2-3-4-10-16-12(14)8-9-13(15)17-11-6-5-7-11/h8-9,11H,2-7,10H2,1H3/b9-8+
InChIKey KJHRXBMFJDVKKF-CMDGGOBGSA-N
Molecular Weight 240.299 g/mol
SMILES C1(CCC1)OC(\C=C\C(OCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87461