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4-(Nonafluoro-tert-butyl) benzoic acid

View entire compound with spectra: 1 FTIR

4-(Nonafluoro-tert-butyl) benzoic acid
SpectraBase Compound ID GbSimuJMaHv
InChI InChI=1S/C11H5F9O2/c12-9(13,14)8(10(15,16)17,11(18,19)20)6-3-1-5(2-4-6)7(21)22/h1-4H,(H,21,22)
InChIKey SKAFGMZFLPFCLZ-UHFFFAOYSA-N
Mol Weight 340.14 g/mol
Molecular Formula C11H5F9O2
Exact Mass 340.014583 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LNEcdn94iSc
Name 4-(Nonafluoro-tert-butyl) benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.014582866 u
Formula C11H5F9O2
InChI InChI=1S/C11H5F9O2/c12-9(13,14)8(10(15,16)17,11(18,19)20)6-3-1-5(2-4-6)7(21)22/h1-4H,(H,21,22)
InChIKey SKAFGMZFLPFCLZ-UHFFFAOYSA-N
Molecular Weight 340.145 g/mol
SMILES C(O)(=O)C1=CC=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885514