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Fumaric acid, di(2,2,2-trifluoroethyl) ester

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

Fumaric acid, di(2,2,2-trifluoroethyl) ester
SpectraBase Compound ID 20BE1JaNGWH
InChI InChI=1S/C8H6F6O4/c9-7(10,11)3-17-5(15)1-2-6(16)18-4-8(12,13)14/h1-2H,3-4H2/b2-1+
InChIKey KZTDZFZLDVZRCF-OWOJBTEDSA-N
Mol Weight 280.12 g/mol
Molecular Formula C8H6F6O4
Exact Mass 280.017028 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LAW13ofL5wq
Name Fumaric acid, di(2,2,2-trifluoroethyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.017027647 u
Formula C8H6F6O4
InChI InChI=1S/C8H6F6O4/c9-7(10,11)3-17-5(15)1-2-6(16)18-4-8(12,13)14/h1-2H,3-4H2/b2-1+
InChIKey KZTDZFZLDVZRCF-OWOJBTEDSA-N
Molecular Weight 280.122 g/mol
SMILES C(OC(\C=C\C(OCC(F)(F)F)=O)=O)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888946