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2-Nitrobenzotrifluoride

View entire compound with spectra: 11 NMR, 6 FTIR, 2 Raman, and 2 MS (GC)

2-Nitrobenzotrifluoride
SpectraBase Compound ID KKhrMNXo8GM
InChI InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-1-2-4-6(5)11(12)13/h1-4H
InChIKey NDZJSUCUYPZXPR-UHFFFAOYSA-N
Mol Weight 191.11 g/mol
Molecular Formula C7H4F3NO2
Exact Mass 191.019413 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 87wUANIcaAh
Name 2-Nitro-alpha,alpha,alpha-trifluoro-toluene
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 152218
CAS Registry Number 384-22-5
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)5-3-1-2-4-6(5)11(12)13/h1-4H
InChIKey NDZJSUCUYPZXPR-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_001568