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Fumaric acid, dec-4-enyl undecyl ester

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

Fumaric acid, dec-4-enyl undecyl ester
SpectraBase Compound ID 5ALzzLA6NDK
InChI InChI=1S/C25H44O4/c1-3-5-7-9-11-13-15-17-19-23-29-25(27)21-20-24(26)28-22-18-16-14-12-10-8-6-4-2/h12,14,20-21H,3-11,13,15-19,22-23H2,1-2H3/b14-12+,21-20+
InChIKey ITWJPALOVIIXML-KFSAMSKSSA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H44O4
Exact Mass 408.32396 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DFUbQNHTMCj
Name Fumaric acid, dec-4-enyl undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.323959893 u
Formula C25H44O4
InChI InChI=1S/C25H44O4/c1-3-5-7-9-11-13-15-17-19-23-29-25(27)21-20-24(26)28-22-18-16-14-12-10-8-6-4-2/h12,14,20-21H,3-11,13,15-19,22-23H2,1-2H3/b14-12+,21-20+
InChIKey ITWJPALOVIIXML-KFSAMSKSSA-N
Molecular Weight 408.623 g/mol
SMILES C(OCCC\C=C\CCCCC)(\C=C\C(OCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984397