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Methyl 3-phenyl-3-[(trifluoroacetyl)oxy]propanoate

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

Methyl 3-phenyl-3-[(trifluoroacetyl)oxy]propanoate
SpectraBase Compound ID LVuQBZ6k0Jp
InChI InChI=1S/C12H11F3O4/c1-18-10(16)7-9(8-5-3-2-4-6-8)19-11(17)12(13,14)15/h2-6,9H,7H2,1H3
InChIKey SZGJVMOTEKBASH-UHFFFAOYSA-N
Mol Weight 276.21 g/mol
Molecular Formula C12H11F3O4
Exact Mass 276.060943 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KJPxDx7L2sY
Name Methyl 3-phenyl-3-[(trifluoroacetyl)oxy]propanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.060943319 u
Formula C12H11F3O4
InChI InChI=1S/C12H11F3O4/c1-18-10(16)7-9(8-5-3-2-4-6-8)19-11(17)12(13,14)15/h2-6,9H,7H2,1H3
InChIKey SZGJVMOTEKBASH-UHFFFAOYSA-N
Molecular Weight 276.211 g/mol
SMILES C(CC(OC)=O)(C=1C=CC=CC1)OC(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871148