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3-phenyl-4-{{[(3-pyridyl)methyl]amino}methylene}-2-pyrazolin-5-one
SpectraBase Compound ID FV3RX7ieXxL
InChI InChI=1S/C16H14N4O/c21-16-14(11-18-10-12-5-4-8-17-9-12)15(19-20-16)13-6-2-1-3-7-13/h1-9,11,18H,10H2,(H,20,21)
InChIKey PPEGLNJNXINGQC-UHFFFAOYSA-N
Mol Weight 278.31 g/mol
Molecular Formula C16H14N4O
Exact Mass 278.116761 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0Ahh0v7jE8
Name 3-PHENYL-4-{{[(3-PYRIDYL)METHYL]AMINO}METHYLENE}-2-PYRAZOLIN-5-ONE
Source of Sample Bionet Research Ltd., Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N4O
InChI InChI=1S/C16H14N4O/c21-16-14(11-18-10-12-5-4-8-17-9-12)15(19-20-16)13-6-2-1-3-7-13/h1-9,11,18H,10H2,(H,20,21)
InChIKey PPEGLNJNXINGQC-UHFFFAOYSA-N
Melting Point 221-223C
Molecular Weight 278.32
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-PYRAZOLIN-5-ONE, 3-PHENYL- 4-////3-PYRIDYL/METHYL/AMINO/METHYLENE/-,