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Fumaric acid, di(trans-hex-3-enyl) ester

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

Fumaric acid, di(trans-hex-3-enyl) ester
SpectraBase Compound ID CxklQu2jRnL
InChI InChI=1S/C16H24O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3/b7-5+,8-6+,12-11+
InChIKey QGNBTOILRVTESN-UXJRKJCUSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HBnJfYRfNwC
Name Fumaric acid, di(trans-hex-3-enyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.167459249 u
Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3/b7-5+,8-6+,12-11+
InChIKey QGNBTOILRVTESN-UXJRKJCUSA-N
SMILES C(OCC\C=C\CC)(\C=C\C(OCC\C=C\CC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968696