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Phenol, 2,6-ditert-butyl-4-2,3,4,5,6-pentafluorobenzyl-

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

Phenol, 2,6-ditert-butyl-4-2,3,4,5,6-pentafluorobenzyl-
SpectraBase Compound ID AopHjjcUe4X
InChI InChI=1S/C21H23F5O/c1-20(2,3)12-8-10(9-13(19(12)27)21(4,5)6)7-11-14(22)16(24)18(26)17(25)15(11)23/h8-9,27H,7H2,1-6H3
InChIKey IKQCUJGEZIWUSM-UHFFFAOYSA-N
Mol Weight 386.41 g/mol
Molecular Formula C21H23F5O
Exact Mass 386.166906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D9rypdFyR1c
Name Phenol, 2,6-ditert-butyl-4-2,3,4,5,6-pentafluorobenzyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.166906175 u
Formula C21H23F5O
InChI InChI=1S/C21H23F5O/c1-20(2,3)12-8-10(9-13(19(12)27)21(4,5)6)7-11-14(22)16(24)18(26)17(25)15(11)23/h8-9,27H,7H2,1-6H3
InChIKey IKQCUJGEZIWUSM-UHFFFAOYSA-N
Molecular Weight 386.406 g/mol
SMILES C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C1=C(C(=C(C(=C1F)F)F)F)F