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4-Bromobenzotrifluoride

View entire compound with spectra: 12 NMR, 7 FTIR, 2 Raman, and 4 MS (GC)

4-Bromobenzotrifluoride
SpectraBase Compound ID FEpYaxi4QkI
InChI InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKey XLQSXGGDTHANLN-UHFFFAOYSA-N
Mol Weight 225.01 g/mol
Molecular Formula C7H4BrF3
Exact Mass 223.944848 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HckCnwqNe8M
Name 4-Bromobenzotrifluoride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 152692
CAS Registry Number 402-43-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4BrF3
InChI InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKey XLQSXGGDTHANLN-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-Bromo-4-(trifluoromethyl)benzene 4-Bromo-alpha,alpha,alpha-trifluorotoluene
Wiley ID SIAL_13CNMR_001581