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4-{{[(3-pyridyl)methyl]amino}methylene}-3-(trifluoromethyl)-2-pyrazolin-5-one
SpectraBase Compound ID 2gCoRkS4VAx
InChI InChI=1S/C11H9F3N4O/c12-11(13,14)9-8(10(19)18-17-9)6-16-5-7-2-1-3-15-4-7/h1-4,6,16H,5H2,(H,18,19)
InChIKey KGYFHCTYEJMRAT-UHFFFAOYSA-N
Mol Weight 270.22 g/mol
Molecular Formula C11H9F3N4O
Exact Mass 270.072845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AV1uYqU4vlI
Name 4-{{[(3-PYRIDYL)METHYL]AMINO}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 C11H9F3N4O
InChI InChI=1S/C11H9F3N4O/c12-11(13,14)9-8(10(19)18-17-9)6-16-5-7-2-1-3-15-4-7/h1-4,6,16H,5H2,(H,18,19)
InChIKey KGYFHCTYEJMRAT-UHFFFAOYSA-N
Melting Point 184-186C
Molecular Weight 270.22
Solvent Polysol; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-PYRAZOLIN-5-ONE, 4-////3-PYRIDYL/METHYL/AMINO/METHYLENE/-3-/TRIFLUOROMETHYL/-,