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Fumaric acid, cycloheptyl isobutyl ester

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

Fumaric acid, cycloheptyl isobutyl ester
SpectraBase Compound ID FuEbbJTHksa
InChI InChI=1S/C15H24O4/c1-12(2)11-18-14(16)9-10-15(17)19-13-7-5-3-4-6-8-13/h9-10,12-13H,3-8,11H2,1-2H3/b10-9+
InChIKey SMLSBSZQMLKIEZ-MDZDMXLPSA-N
Mol Weight 268.35 g/mol
Molecular Formula C15H24O4
Exact Mass 268.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 88k47QSIpg4
Name Fumaric acid, cycloheptyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.167459249 u
Formula C15H24O4
InChI InChI=1S/C15H24O4/c1-12(2)11-18-14(16)9-10-15(17)19-13-7-5-3-4-6-8-13/h9-10,12-13H,3-8,11H2,1-2H3/b10-9+
InChIKey SMLSBSZQMLKIEZ-MDZDMXLPSA-N
Molecular Weight 268.353 g/mol
SMILES C1CCC(CCC1)OC(=O)\C=C\C(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867996