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Fumaric acid, cyclohexyl isobutyl ester

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

Fumaric acid, cyclohexyl isobutyl ester
SpectraBase Compound ID IdQwux26Tlf
InChI InChI=1S/C14H22O4/c1-11(2)10-17-13(15)8-9-14(16)18-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3/b9-8+
InChIKey CNKATKALHSIDQP-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 CTLk5w6vDm0
Name Fumaric acid, cyclohexyl isobutyl 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/c1-11(2)10-17-13(15)8-9-14(16)18-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3/b9-8+
InChIKey CNKATKALHSIDQP-CMDGGOBGSA-N
Molecular Weight 254.326 g/mol
SMILES C1(CCCCC1)OC(\C=C\C(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883827