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4-{[(2-thenyl)amino]methylene}-3-(trifluoromethyl)-2-pyrazolin-5-one
SpectraBase Compound ID 286WT4CSCq4
InChI InChI=1S/C10H8F3N3OS/c11-10(12,13)8-7(9(17)16-15-8)5-14-4-6-2-1-3-18-6/h1-3,5,14H,4H2,(H,16,17)
InChIKey HQXLJAWYOTXPSX-UHFFFAOYSA-N
Mol Weight 275.25 g/mol
Molecular Formula C10H8F3N3OS
Exact Mass 275.034018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EZK1zSoLWzQ
Name 4-{[(2-THENYL)AMINO]METHYLENE}-3-(TRIFLUOROMETHYL)-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 C10H8F3N3OS
InChI InChI=1S/C10H8F3N3OS/c11-10(12,13)8-7(9(17)16-15-8)5-14-4-6-2-1-3-18-6/h1-3,5,14H,4H2,(H,16,17)
InChIKey HQXLJAWYOTXPSX-UHFFFAOYSA-N
Melting Point 171-173C
Molecular Weight 275.25
Solvent Polysol; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-PYRAZOLIN-5-ONE, 4-///2-THENYL/AMINO/METHYLENE/-3-/TRIFLUOROMETHYL/-,