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1-PHENYL-3-(TRIFLUOROMETHYL)-4-[(alpha,alpha,alpha-TRIFLUORO-m-TOLUIDINO)METHYLENE]-2-PYRAZOLIN-5-ONE
SpectraBase Compound ID 8rPG7DNxd0V
InChI InChI=1S/C18H11F6N3O/c19-17(20,21)11-5-4-6-12(9-11)25-10-14-15(18(22,23)24)26-27(16(14)28)13-7-2-1-3-8-13/h1-10,25H
InChIKey AYOKRMWMDPIXOS-UHFFFAOYSA-N
Mol Weight 399.3 g/mol
Molecular Formula C18H11F6N3O
Exact Mass 399.080631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7oUjZK7fKK
Name 1-PHENYL-3-(TRIFLUOROMETHYL)-4-[(alpha,alpha,alpha-TRIFLUORO-m-TOLUIDINO)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 C18H11F6N3O
InChI InChI=1S/C18H11F6N3O/c19-17(20,21)11-5-4-6-12(9-11)25-10-14-15(18(22,23)24)26-27(16(14)28)13-7-2-1-3-8-13/h1-10,25H
InChIKey AYOKRMWMDPIXOS-UHFFFAOYSA-N
Melting Point 115-117C
Molecular Weight 399.30
Solvent Polysol; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-PYRAZOLIN-5-ONE, 1-PHENYL-3-/TRIFLUOROMETHYL/-4-//A,A,A-TRIFLUORO- M-TOLUIDINO/METHYLENE/-,