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Methyl 4-oxo-4-phenyl-2-(trifluoromethyl)but-2-enoate

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

Methyl 4-oxo-4-phenyl-2-(trifluoromethyl)but-2-enoate
SpectraBase Compound ID LjXgZt5uJl1
InChI InChI=1S/C12H9F3O3/c1-18-11(17)9(12(13,14)15)7-10(16)8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKey ZGWDRKPWHYSMEZ-CLFYSBASSA-N
Mol Weight 258.2 g/mol
Molecular Formula C12H9F3O3
Exact Mass 258.050379 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BSvv2STBOLX
Name Methyl 4-oxo-4-phenyl-2-(trifluoromethyl)but-2-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.050378636 u
Formula C12H9F3O3
InChI InChI=1S/C12H9F3O3/c1-18-11(17)9(12(13,14)15)7-10(16)8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKey ZGWDRKPWHYSMEZ-CLFYSBASSA-N
Molecular Weight 258.196 g/mol
SMILES C1=CC(=CC=C1)C(\C=C\(C(OC)=O)C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922023