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3-Phenyl-4-[(alpha,alpha,alpha-trifluoro-p-anisidino)methylene]-2-pyrazolin-5-one
SpectraBase Compound ID 6Fu0YQIChZP
InChI InChI=1S/C17H12F3N3O2/c18-17(19,20)25-13-8-6-12(7-9-13)21-10-14-15(22-23-16(14)24)11-4-2-1-3-5-11/h1-10,21H,(H,23,24)
InChIKey OYRDRKKJTKIXAX-UHFFFAOYSA-N
Mol Weight 347.3 g/mol
Molecular Formula C17H12F3N3O2
Exact Mass 347.088161 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Drz8oaEd4mo
Name 3-Phenyl-4-[(alpha,alpha,alpha-trifluoro-p-anisidino)methylene]-2-pyrazolin-5-one
Comments Computed using HOSE algorithm
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Exact Mass 347.088161125 u
Formula C17H12F3N3O2
InChI InChI=1S/C17H12F3N3O2/c18-17(19,20)25-13-8-6-12(7-9-13)21-10-14-15(22-23-16(14)24)11-4-2-1-3-5-11/h1-10,21H,(H,23,24)
InChIKey OYRDRKKJTKIXAX-UHFFFAOYSA-N
Molecular Weight 347.297 g/mol
SMILES N(C1=CC=C(C=C1)OC(F)(F)F)C=C1C(=O)NN=C1C1=CC=CC=C1