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3,4,5-Trichlorobenzotrifluoride

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3,4,5-Trichlorobenzotrifluoride
SpectraBase Compound ID AmR29vZC1DH
InChI InChI=1S/C7H2Cl3F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChIKey FBKFIAIRSQOXJR-UHFFFAOYSA-N
Mol Weight 249.45 g/mol
Molecular Formula C7H2Cl3F3
Exact Mass 247.917418 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FQbOJjSTPqs
Name 3,4,5-Trichlorobenzotrifluoride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 375489
CAS Registry Number 50594-82-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H2Cl3F3
InChI InChI=1S/C7H2Cl3F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChIKey FBKFIAIRSQOXJR-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008089