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1-(2,6-DINITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLYL)ISONIPECOTONITRILE

View entire compound with spectra: 3 NMR, and 1 FTIR

1-(2,6-DINITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLYL)ISONIPECOTONITRILE
SpectraBase Compound ID JmOASMqloE9
InChI InChI=1S/C13H11F3N4O4/c14-13(15,16)9-5-10(19(21)22)12(11(6-9)20(23)24)18-3-1-8(7-17)2-4-18/h5-6,8H,1-4H2
InChIKey JREINQQZJXXSKO-UHFFFAOYSA-N
Mol Weight 344.25 g/mol
Molecular Formula C13H11F3N4O4
Exact Mass 344.073239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2n1LfoVZBDk
Name 1-(2,6-DINITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLYL)ISONIPECOTONITRILE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11F3N4O4
InChI InChI=1S/C13H11F3N4O4/c14-13(15,16)9-5-10(19(21)22)12(11(6-9)20(23)24)18-3-1-8(7-17)2-4-18/h5-6,8H,1-4H2
InChIKey JREINQQZJXXSKO-UHFFFAOYSA-N
Melting Point 141-143C
Molecular Weight 344.25
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ISONIPECOTONITRILE, 1-(2,6-DINITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLYL)-,