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2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene

View entire compound with spectra: 4 NMR, 3 FTIR, and 2 Raman

2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene
SpectraBase Compound ID 1Oi3KeEt6xR
InChI InChI=1S/C7H2ClF3N2O4/c8-6-4(7(9,10)11)1-3(12(14)15)2-5(6)13(16)17/h1-2H
InChIKey RLXKADBMLQPLDV-UHFFFAOYSA-N
Mol Weight 270.55 g/mol
Molecular Formula C7H2ClF3N2O4
Exact Mass 269.965519 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 781thXHfVl6
Name 2-Chloro-3,5-dinitrobenzotrifluoride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 247995
CAS Registry Number 392-95-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H2ClF3N2O4
InChI InChI=1S/C7H2ClF3N2O4/c8-6-4(7(9,10)11)1-3(12(14)15)2-5(6)13(16)17/h1-2H
InChIKey RLXKADBMLQPLDV-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_004192