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Fumaric acid, trans-hex-3-enyl undecyl ester

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

Fumaric acid, trans-hex-3-enyl undecyl ester
SpectraBase Compound ID LhoblSbUnJd
InChI InChI=1S/C21H36O4/c1-3-5-7-9-10-11-12-13-15-19-25-21(23)17-16-20(22)24-18-14-8-6-4-2/h6,8,16-17H,3-5,7,9-15,18-19H2,1-2H3/b8-6+,17-16+
InChIKey NIZVQRSQQBISTA-JNKFDQBJSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FBkLzK8JAoJ
Name Fumaric acid, trans-hex-3-enyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.261359635 u
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-3-5-7-9-10-11-12-13-15-19-25-21(23)17-16-20(22)24-18-14-8-6-4-2/h6,8,16-17H,3-5,7,9-15,18-19H2,1-2H3/b8-6+,17-16+
InChIKey NIZVQRSQQBISTA-JNKFDQBJSA-N
Molecular Weight 352.515 g/mol
SMILES C(OCC\C=C\CC)(\C=C\C(OCCCCCCCCCCC)=O)=O