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4-Methylbenzotrifluoride

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

4-Methylbenzotrifluoride
SpectraBase Compound ID 4F6xsDpY8li
InChI InChI=1S/C8H7F3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5H,1H3
InChIKey LRLRAYMYEXQKID-UHFFFAOYSA-N
Mol Weight 160.14 g/mol
Molecular Formula C8H7F3
Exact Mass 160.049985 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LIhJVru2ZYU
Name 4-Methylbenzotrifluoride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 365866
CAS Registry Number 6140-17-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7F3
InChI InChI=1S/C8H7F3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5H,1H3
InChIKey LRLRAYMYEXQKID-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha,alpha,alpha-Trifluoro-p-xylene
Wiley ID SIAL_13CNMR_007727