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4-Tert-butylphenol, o-pentafluoropropionyl-

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

4-Tert-butylphenol, o-pentafluoropropionyl-
SpectraBase Compound ID G3LlAskxjnl
InChI InChI=1S/C13H13F5O2/c1-11(2,3)8-4-6-9(7-5-8)20-10(19)12(14,15)13(16,17)18/h4-7H,1-3H3
InChIKey SAPIAOOOWMSMTJ-UHFFFAOYSA-N
Mol Weight 296.24 g/mol
Molecular Formula C13H13F5O2
Exact Mass 296.08357 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4EILhdOBGkX
Name 4-Tert-butylphenol, o-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.083570472 u
Formula C13H13F5O2
InChI InChI=1S/C13H13F5O2/c1-11(2,3)8-4-6-9(7-5-8)20-10(19)12(14,15)13(16,17)18/h4-7H,1-3H3
InChIKey SAPIAOOOWMSMTJ-UHFFFAOYSA-N
Molecular Weight 296.237 g/mol
SMILES C(C)(C)(C)C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.8367