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4-(Trifluoromethoxy)benzoic acid

View entire compound with spectra: 3 NMR, 5 FTIR, 1 Raman, and 2 MS (GC)

4-(Trifluoromethoxy)benzoic acid
SpectraBase Compound ID 18gQ9fC59Mb
InChI InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChIKey RATSANVPHHXDCT-UHFFFAOYSA-N
Mol Weight 206.12 g/mol
Molecular Formula C8H5F3O3
Exact Mass 206.019079 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AqSkBB6jh0A
Name 4-(Trifluoromethoxy)benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 301396
CAS Registry Number 330-12-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5F3O3
InChI InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChIKey RATSANVPHHXDCT-UHFFFAOYSA-N
Observed nucleus 13C
Purity 96%
Solvent D2O & NaOD
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_005886