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2-Tert-butyl-5-methylphenol, trifluoroacetate
SpectraBase Compound ID ChvBRZ8Cexm
InChI InChI=1S/C13H15F3O2/c1-8-5-6-9(12(2,3)4)10(7-8)18-11(17)13(14,15)16/h5-7H,1-4H3
InChIKey SHCFEXJBCHSETN-UHFFFAOYSA-N
Mol Weight 260.26 g/mol
Molecular Formula C13H15F3O2
Exact Mass 260.102414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gzKlvMvQ8p
Name 2-Tert-butyl-5-methylphenol, trifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.102414210 u
Formula C13H15F3O2
InChI InChI=1S/C13H15F3O2/c1-8-5-6-9(12(2,3)4)10(7-8)18-11(17)13(14,15)16/h5-7H,1-4H3
InChIKey SHCFEXJBCHSETN-UHFFFAOYSA-N
Molecular Weight 260.256 g/mol
SMILES C(C)(C)(C)C1=C(OC(C(F)(F)F)=O)C=C(C=C1)C