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6-TRIFLUOROMETHYL-1,4,5,6-TETRAHYDRO-4-METHYL-1,3-DIPHENYL-1,2,4-TRIAZIN-6-OL
SpectraBase Compound ID EtAZI8tWp04
InChI InChI=1S/C17H16F3N3O/c1-22-12-16(24,17(18,19)20)23(14-10-6-3-7-11-14)21-15(22)13-8-4-2-5-9-13/h2-11,24H,12H2,1H3
InChIKey XGGNPRNWYMTXMI-UHFFFAOYSA-N
Mol Weight 335.33 g/mol
Molecular Formula C17H16F3N3O
Exact Mass 335.124547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7XBAmSookzW
Name 6-TRIFLUOROMETHYL-1,4,5,6-TETRAHYDRO-4-METHYL-1,3-DIPHENYL-1,2,4-TRIAZIN-6-OL
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16F3N3O
InChI InChI=1S/C17H16F3N3O/c1-22-12-16(24,17(18,19)20)23(14-10-6-3-7-11-14)21-15(22)13-8-4-2-5-9-13/h2-11,24H,12H2,1H3
InChIKey XGGNPRNWYMTXMI-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 335.329 g/mol
Sample ID 1451
Solvent CDCl3