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4-Bromo-3-(trifluoromethoxy)phenol, acetate

View entire compound with spectra: 1 FTIR

4-Bromo-3-(trifluoromethoxy)phenol, acetate
SpectraBase Compound ID HDjFv08bNkn
InChI InChI=1S/C9H6BrF3O3/c1-5(14)15-6-2-3-7(10)8(4-6)16-9(11,12)13/h2-4H,1H3
InChIKey AHIHPNAGSBGPLG-UHFFFAOYSA-N
Mol Weight 299.04 g/mol
Molecular Formula C9H6BrF3O3
Exact Mass 297.945242 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FnHdaBEK48p
Name 4-Bromo-3-(trifluoromethoxy)phenol, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.945241539 u
Formula C9H6BrF3O3
InChI InChI=1S/C9H6BrF3O3/c1-5(14)15-6-2-3-7(10)8(4-6)16-9(11,12)13/h2-4H,1H3
InChIKey AHIHPNAGSBGPLG-UHFFFAOYSA-N
Molecular Weight 299.043 g/mol
SMILES C(F)(F)(F)OC1=C(C=CC(=C1)OC(C)=O)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962377