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3-Chloro-4-fluoro-5-nitrobenzotrifluoride

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 Raman

3-Chloro-4-fluoro-5-nitrobenzotrifluoride
SpectraBase Compound ID 1NVHozkt0Yh
InChI InChI=1S/C7H2ClF4NO2/c8-4-1-3(7(10,11)12)2-5(6(4)9)13(14)15/h1-2H
InChIKey JVOKKJHIEVEFEB-UHFFFAOYSA-N
Mol Weight 243.54 g/mol
Molecular Formula C7H2ClF4NO2
Exact Mass 242.971019 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ilzk5kWXym1
Name 3-Chloro-4-fluoro-5-nitrobenzotrifluoride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 466972
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H2ClF4NO2
InChI InChI=1S/C7H2ClF4NO2/c8-4-1-3(7(10,11)12)2-5(6(4)9)13(14)15/h1-2H
InChIKey JVOKKJHIEVEFEB-UHFFFAOYSA-N
Molecular Weight 243.545 g/mol
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_014722