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Fumaric acid, hexyl trans-4-tert-butylcyclohexyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, hexyl trans-4-tert-butylcyclohexyl ester
SpectraBase Compound ID AOWmvJfoOBX
InChI InChI=1S/C20H34O4/c1-5-6-7-8-15-23-18(21)13-14-19(22)24-17-11-9-16(10-12-17)20(2,3)4/h13-14,16-17H,5-12,15H2,1-4H3/b14-13+
InChIKey AGJVQTHFINDZNZ-BUHFOSPRSA-N
Mol Weight 338.5 g/mol
Molecular Formula C20H34O4
Exact Mass 338.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTmQo8azqoI
Name Fumaric acid, hexyl trans-4-tert-butylcyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.245709571 u
Formula C20H34O4
InChI InChI=1S/C20H34O4/c1-5-6-7-8-15-23-18(21)13-14-19(22)24-17-11-9-16(10-12-17)20(2,3)4/h13-14,16-17H,5-12,15H2,1-4H3/b14-13+
InChIKey AGJVQTHFINDZNZ-BUHFOSPRSA-N
Molecular Weight 338.488 g/mol
SMILES C1C(CCC(C1)OC(\C=C\C(OCCCCCC)=O)=O)C(C)(C)C