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3-(4-BROMOPHENYL)-6-TRIFLUOROMETHYL-1,4,5,6-TETRAHYDRO-4-METHYL-1-PHENYL-1,2,4-TRIAZIN-6-OL

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3-(4-BROMOPHENYL)-6-TRIFLUOROMETHYL-1,4,5,6-TETRAHYDRO-4-METHYL-1-PHENYL-1,2,4-TRIAZIN-6-OL
SpectraBase Compound ID Btx9fcDL1WG
InChI InChI=1S/C17H15BrF3N3O/c1-23-11-16(25,17(19,20)21)24(14-5-3-2-4-6-14)22-15(23)12-7-9-13(18)10-8-12/h2-10,25H,11H2,1H3
InChIKey IXXCCOGITJSTEE-UHFFFAOYSA-N
Mol Weight 414.23 g/mol
Molecular Formula C17H15BrF3N3O
Exact Mass 413.03506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3hsEwEutJEs
Name 3-(4-BROMOPHENYL)-6-TRIFLUOROMETHYL-1,4,5,6-TETRAHYDRO-4-METHYL-1-PHENYL-1,2,4-TRIAZIN-6-OL
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15BrF3N3O
InChI InChI=1S/C17H15BrF3N3O/c1-23-11-16(25,17(19,20)21)24(14-5-3-2-4-6-14)22-15(23)12-7-9-13(18)10-8-12/h2-10,25H,11H2,1H3
InChIKey IXXCCOGITJSTEE-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 414.225 g/mol
Sample ID 1453
Solvent CDCl3