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Fumaric acid, dicyclohexylmethyl ester

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

Fumaric acid, dicyclohexylmethyl ester
SpectraBase Compound ID IGfyxfFMN2r
InChI InChI=1S/C18H28O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h11-12,15-16H,1-10,13-14H2/b12-11+
InChIKey RBVGPBIJQVLDFG-VAWYXSNFSA-N
Mol Weight 308.42 g/mol
Molecular Formula C18H28O4
Exact Mass 308.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7VMCpSk8qFF
Name Fumaric acid, dicyclohexylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.198759378 u
Formula C18H28O4
InChI InChI=1S/C18H28O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h11-12,15-16H,1-10,13-14H2/b12-11+
InChIKey RBVGPBIJQVLDFG-VAWYXSNFSA-N
Molecular Weight 308.418 g/mol
SMILES C1CCC(CC1)COC(\C=C\C(OCC1CCCCC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972893