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Fumaric acid, cyclohex-3-enylmethyl isobutyl ester

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

Fumaric acid, cyclohex-3-enylmethyl isobutyl ester
SpectraBase Compound ID F0eyH9HVWuN
InChI InChI=1S/C15H22O4/c1-12(2)10-18-14(16)8-9-15(17)19-11-13-6-4-3-5-7-13/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3/b9-8+
InChIKey AKJGPUQBWXNNJN-CMDGGOBGSA-N
Mol Weight 266.34 g/mol
Molecular Formula C15H22O4
Exact Mass 266.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3fsZLZwQFLJ
Name Fumaric acid, cyclohex-3-enylmethyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.151809184 u
Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-12(2)10-18-14(16)8-9-15(17)19-11-13-6-4-3-5-7-13/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3/b9-8+
InChIKey AKJGPUQBWXNNJN-CMDGGOBGSA-N
Molecular Weight 266.337 g/mol
SMILES C1=CCC(CC1)COC(\C=C\C(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866425