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3-(trifluoromethyl)-4-{{[m-(trifluoromethyl)benzyl]amino}methylene}-2-pyrazolin-5-one
SpectraBase Compound ID IU9WF2yv1ko
InChI InChI=1S/C13H9F6N3O/c14-12(15,16)8-3-1-2-7(4-8)5-20-6-9-10(13(17,18)19)21-22-11(9)23/h1-4,6,20H,5H2,(H,22,23)
InChIKey ABALIUONNHETAO-UHFFFAOYSA-N
Mol Weight 337.23 g/mol
Molecular Formula C13H9F6N3O
Exact Mass 337.064981 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7bU2mAsuFNg
Name 3-(TRIFLUOROMETHYL)-4-{{[m-(TRIFLUOROMETHYL)BENZYL]AMINO}METHYLENE}-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 C13H9F6N3O
InChI InChI=1S/C13H9F6N3O/c14-12(15,16)8-3-1-2-7(4-8)5-20-6-9-10(13(17,18)19)21-22-11(9)23/h1-4,6,20H,5H2,(H,22,23)
InChIKey ABALIUONNHETAO-UHFFFAOYSA-N
Melting Point 207-209C
Molecular Weight 337.23
Solvent Polysol; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-PYRAZOLIN-5-ONE, 3-/TRIFLUOROMETHYL/-4-///M-/TRIFLUOROMETHYL/BENZYL/AMINO/METHYLENE/-,