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3,5-Dinitrobenzotrifluoride

View entire compound with spectra: 3 NMR, 4 FTIR, 2 Raman, and 2 MS (GC)

3,5-Dinitrobenzotrifluoride
SpectraBase Compound ID KO4q0kXiK0t
InChI InChI=1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H
InChIKey QZADIXWDDVQVKM-UHFFFAOYSA-N
Mol Weight 236.11 g/mol
Molecular Formula C7H3F3N2O4
Exact Mass 236.004491 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1KEioXWKflx
Name 3,5-Dinitrobenzotrifluoride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 196983
CAS Registry Number 401-99-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3F3N2O4
InChI InChI=1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H
InChIKey QZADIXWDDVQVKM-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_002785