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5-TRIFLUOROMETHYL-1,2-DIHYDRO-1-(4-METHOXYPHENYL)-4-(METHYLAMINO)-3H-PYRAZOL-3-ONE
SpectraBase Compound ID 3yG6PG5qUn4
InChI InChI=1S/C12H12F3N3O2/c1-16-9-10(12(13,14)15)18(17-11(9)19)7-3-5-8(20-2)6-4-7/h3-6,16H,1-2H3,(H,17,19)
InChIKey CDKYQTVRUORZQE-UHFFFAOYSA-N
Mol Weight 287.24 g/mol
Molecular Formula C12H12F3N3O2
Exact Mass 287.088161 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GIUQ1znvXku
Name 5-TRIFLUOROMETHYL-1,2-DIHYDRO-1-(4-METHOXYPHENYL)-4-(METHYLAMINO)-3H-PYRAZOL-3-ONE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12F3N3O2
InChI InChI=1S/C12H12F3N3O2/c1-16-9-10(12(13,14)15)18(17-11(9)19)7-3-5-8(20-2)6-4-7/h3-6,16H,1-2H3,(H,17,19)
InChIKey CDKYQTVRUORZQE-UHFFFAOYSA-N
Literature Reference Author M.KAWASE,H.KOIWAI
Literature Reference Citation CHEM.PHARM.BULL.,56,433(2008)
Literature Reference DOI 10.1248/cpb.56.433
Molecular Weight 287.241 g/mol
Sample ID 1465
Solvent CDCl3