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Ethyl-2- trifluoroacetyl-2,4-pentadienoate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Ethyl-2- trifluoroacetyl-2,4-pentadienoate
SpectraBase Compound ID 9s6C4YgAlMv
InChI InChI=1S/C9H9F3O3/c1-3-5-6(8(14)15-4-2)7(13)9(10,11)12/h3,5H,1,4H2,2H3/b6-5+
InChIKey RIRQZECHWJZDBO-AATRIKPKSA-N
Mol Weight 222.16 g/mol
Molecular Formula C9H9F3O3
Exact Mass 222.050379 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 81rFheanP6n
Name Ethyl-2- trifluoroacetyl-2,4-pentadienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.050378636 u
Formula C9H9F3O3
InChI InChI=1S/C9H9F3O3/c1-3-5-6(8(14)15-4-2)7(13)9(10,11)12/h3,5H,1,4H2,2H3/b6-5+
InChIKey RIRQZECHWJZDBO-AATRIKPKSA-N
Molecular Weight 222.163 g/mol
SMILES C(\C(C(=O)OCC)=C/C=C)(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95892