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Fumaric acid, cyclohexylmethyl nonyl ester

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

Fumaric acid, cyclohexylmethyl nonyl ester
SpectraBase Compound ID Lf7Fa00oavL
InChI InChI=1S/C20H34O4/c1-2-3-4-5-6-7-11-16-23-19(21)14-15-20(22)24-17-18-12-9-8-10-13-18/h14-15,18H,2-13,16-17H2,1H3/b15-14+
InChIKey WIXGTCWZZQIGQT-CCEZHUSRSA-N
Mol Weight 338.5 g/mol
Molecular Formula C20H34O4
Exact Mass 338.24571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IPLlnWyJto1
Name Fumaric acid, cyclohexylmethyl nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.245709571 u
Formula C20H34O4
InChI InChI=1S/C20H34O4/c1-2-3-4-5-6-7-11-16-23-19(21)14-15-20(22)24-17-18-12-9-8-10-13-18/h14-15,18H,2-13,16-17H2,1H3/b15-14+
InChIKey WIXGTCWZZQIGQT-CCEZHUSRSA-N
Molecular Weight 338.488 g/mol
SMILES C1(CCCCC1)COC(\C=C\C(OCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940936