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2,6-Di-tert-butyl-4-(trifluoromethyl)phenol

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

2,6-Di-tert-butyl-4-(trifluoromethyl)phenol
SpectraBase Compound ID 4v4jVoLhda
InChI InChI=1S/C15H21F3O/c1-13(2,3)10-7-9(15(16,17)18)8-11(12(10)19)14(4,5)6/h7-8,19H,1-6H3
InChIKey DCKKVAZBNUYJKW-UHFFFAOYSA-N
Mol Weight 274.33 g/mol
Molecular Formula C15H21F3O
Exact Mass 274.15445 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6xtXskSeRZs
Name 2,6-di-Tert-butyl-4-(trifluoromethyl)phenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.154449784 u
Formula C15H21F3O
InChI InChI=1S/C15H21F3O/c1-13(2,3)10-7-9(15(16,17)18)8-11(12(10)19)14(4,5)6/h7-8,19H,1-6H3
InChIKey DCKKVAZBNUYJKW-UHFFFAOYSA-N
Molecular Weight 274.327 g/mol
SMILES C=1(C(=C(C(C)(C)C)C=C(C(F)(F)F)C1)O)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917491