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5-Chloro-2-nitrobenzotrifluoride

View entire compound with spectra: 9 NMR, 8 FTIR, 1 Raman, 1 UV-Vis, and 1 MS (GC)

5-Chloro-2-nitrobenzotrifluoride
SpectraBase Compound ID DdhFsxOOo8i
InChI InChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H
InChIKey CFPIGEXZPWTNOR-UHFFFAOYSA-N
Mol Weight 225.55 g/mol
Molecular Formula C7H3ClF3NO2
Exact Mass 224.980441 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8MJRABQwXgE
Name 4-Chloro-1-nitro-2-(trifluoromethyl)benzene
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number C60805
CAS Registry Number 118-83-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3ClF3NO2
InChI InChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H
InChIKey CFPIGEXZPWTNOR-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 5-Chloro-2-nitro-alpha,alpha,alpha-trifluorotoluene; 5-Chloro-2-nitrobenzotrifluoride
Wiley ID SIAL_13CNMR_011178