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4-Trifluoromethyl-4-hydroxy-6,8-dimethyl-3-(4-chlorophenyl)-1,4,5,6,7,8-hexahydropyrimido[4,5-c]pyridazine-5,7-dione
SpectraBase Compound ID D29nlyWKp6N
InChI InChI=1S/C15H12ClF3N4O3/c1-22-11-9(12(24)23(2)13(22)25)14(26,15(17,18)19)10(20-21-11)7-3-5-8(16)6-4-7/h3-6,21,26H,1-2H3
InChIKey PJCJOMYYBCGJAQ-UHFFFAOYSA-N
Mol Weight 388.73 g/mol
Molecular Formula C15H12ClF3N4O3
Exact Mass 388.055002 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwlEAQNlOEm
Name 4-Trifluoromethyl-4-hydroxy-6,8-dimethyl-3-(4-chlorophenyl)-1,4,5,6,7,8-hexahydropyrimido[4,5-c]pyridazine-5,7-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12ClF3N4O3
InChI InChI=1S/C15H12ClF3N4O3/c1-22-11-9(12(24)23(2)13(22)25)14(26,15(17,18)19)10(20-21-11)7-3-5-8(16)6-4-7/h3-6,21,26H,1-2H3
InChIKey PJCJOMYYBCGJAQ-UHFFFAOYSA-N
Molecular Weight 388.734 g/mol
SMILES N1N=C(C(C2=C1N(C(N(C2=O)C)=O)C)(O)C(F)(F)F)c1ccc(cc1)Cl
SPLASH splash10-00xr-0229000000-6839c2730650f281caf8
Source of Spectrum H1-68-1879-3
Synonyms 3-(4-Chlorophenyl)-4-hydroxy-6,8-dimethyl-4-(trifluoromethyl)-4,8-dihydropyrimido[4,5-c]pyridazine-5,7(1H,6H)-dione
Wiley ID 1593620