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2-Fluoro-5-nitrobenzotrifluoride

View entire compound with spectra: 3 NMR, 6 FTIR, 1 Raman, and 1 MS (GC)

2-Fluoro-5-nitrobenzotrifluoride
SpectraBase Compound ID I7pFMQJQdx
InChI InChI=1S/C7H3F4NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H
InChIKey DNTHMWUMRGOJRY-UHFFFAOYSA-N
Mol Weight 209.1 g/mol
Molecular Formula C7H3F4NO2
Exact Mass 209.009991 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 525GKnaSTUm
Name 2-Fluoro-5-nitrobenzotrifluoride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 365823
CAS Registry Number 400-74-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3F4NO2
InChI InChI=1S/C7H3F4NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H
InChIKey DNTHMWUMRGOJRY-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 5-Nitro-alpha,alpha,alpha,2-tetrafluorotoluene
Wiley ID SIAL_13CNMR_007724