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1-METHYL-4-[(p-NITROANILINO)METHYLENE]-3-(TRIFLUOROMETHYL)-2-PYRAZOLIN-5-ONE
SpectraBase Compound ID CGJRXTzQUiF
InChI InChI=1S/C12H9F3N4O3/c1-18-11(20)9(10(17-18)12(13,14)15)6-16-7-2-4-8(5-3-7)19(21)22/h2-6,16H,1H3
InChIKey SHKUTDMBLUQFLD-UHFFFAOYSA-N
Mol Weight 314.22 g/mol
Molecular Formula C12H9F3N4O3
Exact Mass 314.062675 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Tqef0BTZ8K
Name 1-METHYL-4-[(p-NITROANILINO)METHYLENE]-3-(TRIFLUOROMETHYL)-2-PYRAZOLIN-5-ONE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9F3N4O3
InChI InChI=1S/C12H9F3N4O3/c1-18-11(20)9(10(17-18)12(13,14)15)6-16-7-2-4-8(5-3-7)19(21)22/h2-6,16H,1H3
InChIKey SHKUTDMBLUQFLD-UHFFFAOYSA-N
Melting Point 196-197C
Molecular Weight 314.23
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-PYRAZOLIN-5-ONE, 1-METHYL- 4-//P-NITROANILINO/METHYLENE/-3-/TRIFLUOROMETHYL/-,