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4-[(p-CHLOROANILINO)METHYLENE]-1-METHYL-3-(TRIFLUOROMETHYL)-2-PYRAZOLIN-5-ONE
SpectraBase Compound ID KSoetsWMNSd
InChI InChI=1S/C12H9ClF3N3O/c1-19-11(20)9(10(18-19)12(14,15)16)6-17-8-4-2-7(13)3-5-8/h2-6,17H,1H3
InChIKey APFZBXFGUIOMER-UHFFFAOYSA-N
Mol Weight 303.67 g/mol
Molecular Formula C12H9ClF3N3O
Exact Mass 303.038624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9AxszXOCeM4
Name 4-[(p-CHLOROANILINO)METHYLENE]-1-METHYL-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 C12H9ClF3N3O
InChI InChI=1S/C12H9ClF3N3O/c1-19-11(20)9(10(18-19)12(14,15)16)6-17-8-4-2-7(13)3-5-8/h2-6,17H,1H3
InChIKey APFZBXFGUIOMER-UHFFFAOYSA-N
Melting Point 167-169C
Molecular Weight 383.67
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-PYRAZOLIN-5-ONE, 4-//P-CHLOROANILINO/METHYLENE/-1-METHYL-3-/TRIFLUOROMETHYL/-,