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Fumaric acid, butyl cyclopentylmethyl ester

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

Fumaric acid, butyl cyclopentylmethyl ester
SpectraBase Compound ID LlIzPXU1gcE
InChI InChI=1S/C14H22O4/c1-2-3-10-17-13(15)8-9-14(16)18-11-12-6-4-5-7-12/h8-9,12H,2-7,10-11H2,1H3/b9-8+
InChIKey CXMTXWRGRTZQEB-CMDGGOBGSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KwRg5czWQ2b
Name Fumaric acid, butyl cyclopentylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.151809184 u
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-2-3-10-17-13(15)8-9-14(16)18-11-12-6-4-5-7-12/h8-9,12H,2-7,10-11H2,1H3/b9-8+
InChIKey CXMTXWRGRTZQEB-CMDGGOBGSA-N
Molecular Weight 254.326 g/mol
SMILES C(\C=C\C(OCC1CCCC1)=O)(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919279