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Fumaric acid, neopentyl undecyl ester

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

Fumaric acid, neopentyl undecyl ester
SpectraBase Compound ID JyX9FF7Llvk
InChI InChI=1S/C20H36O4/c1-5-6-7-8-9-10-11-12-13-16-23-18(21)14-15-19(22)24-17-20(2,3)4/h14-15H,5-13,16-17H2,1-4H3/b15-14+
InChIKey HGCBDIVKAJLNGR-CCEZHUSRSA-N
Mol Weight 340.5 g/mol
Molecular Formula C20H36O4
Exact Mass 340.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KzufSoFF72
Name Fumaric acid, neopentyl undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.261359635 u
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-5-6-7-8-9-10-11-12-13-16-23-18(21)14-15-19(22)24-17-20(2,3)4/h14-15H,5-13,16-17H2,1-4H3/b15-14+
InChIKey HGCBDIVKAJLNGR-CCEZHUSRSA-N
Molecular Weight 340.504 g/mol
SMILES C(CCCCCCOC(\C=C\C(OCC(C)(C)C)=O)=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953107