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3-(Trifluoromethyl)benzyl bromide

View entire compound with spectra: 2 NMR, 5 FTIR, 1 Raman, and 4 MS (GC)

3-(Trifluoromethyl)benzyl bromide
SpectraBase Compound ID HTyXueJ7Etc
InChI InChI=1S/C8H6BrF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
InChIKey MYYYZNVAUZVXBO-UHFFFAOYSA-N
Mol Weight 239.04 g/mol
Molecular Formula C8H6BrF3
Exact Mass 237.960498 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C6PcYLebbVW
Name 3-(Trifluoromethyl)benzyl bromide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 290556
CAS Registry Number 402-23-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6BrF3
InChI InChI=1S/C8H6BrF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
InChIKey MYYYZNVAUZVXBO-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha'-Bromo-alpha,alpha,alpha-trifluoro-m-xylene
Wiley ID SIAL_13CNMR_005569