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1-Nitro-4-(trifluoromethyl)benzene

View entire compound with spectra: 5 NMR, 5 FTIR, 2 Raman, and 3 MS (GC)

1-Nitro-4-(trifluoromethyl)benzene
SpectraBase Compound ID 5odTn449Oeu
InChI InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H
InChIKey XKYLCLMYQDFGKO-UHFFFAOYSA-N
Mol Weight 191.11 g/mol
Molecular Formula C7H4F3NO2
Exact Mass 191.019413 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A48mA1ahXet
Name 4-Nitrobenzotrifluoride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 211788
CAS Registry Number 402-54-0
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4F3NO2
InChI 1S/C7H4F3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H
InChIKey XKYLCLMYQDFGKO-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Nitro-alpha,alpha,alpha-trifluorotoluene
Wiley ID SIAL_1HNMR_002981