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Benzoic acid, 4-[(trifluoroacetyl)oxy]-

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

Benzoic acid, 4-[(trifluoroacetyl)oxy]-
SpectraBase Compound ID AXOuiDjNA5x
InChI InChI=1S/C9H5F3O4/c10-9(11,12)8(15)16-6-3-1-5(2-4-6)7(13)14/h1-4H,(H,13,14)
InChIKey KUTXBLATXSIYPZ-UHFFFAOYSA-N
Mol Weight 234.13 g/mol
Molecular Formula C9H5F3O4
Exact Mass 234.013993 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G21DakinXVP
Name Benzoic acid, 4-[(trifluoroacetyl)oxy]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.013993126 u
Formula C9H5F3O4
InChI InChI=1S/C9H5F3O4/c10-9(11,12)8(15)16-6-3-1-5(2-4-6)7(13)14/h1-4H,(H,13,14)
InChIKey KUTXBLATXSIYPZ-UHFFFAOYSA-N
Molecular Weight 234.130 g/mol
SMILES C(OC1=CC=C(C=C1)C(O)=O)(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.989898