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3-Nitrobenzotrifluoride

View entire compound with spectra: 17 NMR, 7 FTIR, 2 Raman, and 3 MS (GC)

3-Nitrobenzotrifluoride
SpectraBase Compound ID 4POoVdM8LGP
InChI InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H
InChIKey WHNAMGUAXHGCHH-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 5VVd8moA0VF
Name 3-Nitrobenzotrifluoride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 153079
CAS Registry Number 98-46-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4F3NO2
InChI InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H
InChIKey WHNAMGUAXHGCHH-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-Nitro-alpha,alpha,alpha-trifluorotoluene
Wiley ID SIAL_1HNMR_001573