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3-(Trifluoromethyl)anisole

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

3-(Trifluoromethyl)anisole
SpectraBase Compound ID 4Jsh05jHeYI
InChI InChI=1S/C8H7F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3
InChIKey XHONYVFDZSPELQ-UHFFFAOYSA-N
Mol Weight 176.14 g/mol
Molecular Formula C8H7F3O
Exact Mass 176.044899 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AJaP3j43N8O
Name 3-(Trifluoromethyl)anisole
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 213101
CAS Registry Number 454-90-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7F3O
InChI InChI=1S/C8H7F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3
InChIKey XHONYVFDZSPELQ-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_003030