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4-{[(m-chlorobenzyl)amino]methylene}-3-(trifluoromethyl)-2-pyrazolin-5-one
SpectraBase Compound ID PDnmRWNAYE
InChI InChI=1S/C12H9ClF3N3O/c13-8-3-1-2-7(4-8)5-17-6-9-10(12(14,15)16)18-19-11(9)20/h1-4,6,17H,5H2,(H,19,20)
InChIKey MJSSWXHPBDHTEX-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 KV2f35uRDWS
Name 4-{[(m-CHLOROBENZYL)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 C12H9ClF3N3O
InChI InChI=1S/C12H9ClF3N3O/c13-8-3-1-2-7(4-8)5-17-6-9-10(12(14,15)16)18-19-11(9)20/h1-4,6,17H,5H2,(H,19,20)
InChIKey MJSSWXHPBDHTEX-UHFFFAOYSA-N
Melting Point 176-178C
Molecular Weight 303.67
Solvent Polysol; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-PYRAZOLIN-5-ONE, 4-///M-CHLOROBENZYL/AMINO/METHYLENE/-3-/TRIFLUOROMETHYL/-,