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6-TRIFLUOROMETHYL-1,4,5,6-TETRAHYDRO-3-(4-METHOXYPHENYL)-4-METHYL-1-(4-METHYLBENZENESULFONYL)-1,2,4-TRIAZIN-6-OL
SpectraBase Compound ID 7Q13SvHlsg8
InChI InChI=1S/C19H20F3N3O4S/c1-13-4-10-16(11-5-13)30(27,28)25-18(26,19(20,21)22)12-24(2)17(23-25)14-6-8-15(29-3)9-7-14/h4-11,26H,12H2,1-3H3
InChIKey RZCQTBLNGDWPOM-UHFFFAOYSA-N
Mol Weight 443.44 g/mol
Molecular Formula C19H20F3N3O4S
Exact Mass 443.112662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ALC2lqNtREy
Name 6-TRIFLUOROMETHYL-1,4,5,6-TETRAHYDRO-3-(4-METHOXYPHENYL)-4-METHYL-1-(4-METHYLBENZENESULFONYL)-1,2,4-TRIAZIN-6-OL
Compound Number 3I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20F3N3O4S
InChI InChI=1S/C19H20F3N3O4S/c1-13-4-10-16(11-5-13)30(27,28)25-18(26,19(20,21)22)12-24(2)17(23-25)14-6-8-15(29-3)9-7-14/h4-11,26H,12H2,1-3H3
InChIKey RZCQTBLNGDWPOM-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 443.441 g/mol
Sample ID 1459
Solvent CDCl3