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4-(Trifluoromethyl)phthalic acid

View entire compound with spectra: 1 FTIR

4-(Trifluoromethyl)phthalic acid
SpectraBase Compound ID LNzvYAmFKYl
InChI InChI=1S/C9H5F3O4/c10-9(11,12)4-1-2-5(7(13)14)6(3-4)8(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKey VNLYHYHJIXGBFX-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 40plo3h1Cjc
Name 4-(Trifluoromethyl)phthalic acid
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)4-1-2-5(7(13)14)6(3-4)8(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKey VNLYHYHJIXGBFX-UHFFFAOYSA-N
Molecular Weight 234.130 g/mol
SMILES C1(=C(C=CC(=C1)C(F)(F)F)C(O)=O)C(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.991964