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1-(1,4-Dioxo-1,2,3,4-tetrahydro-phthalazin-5-yl)-3-(3-trifluoromethyl-phenyl)-urea
SpectraBase Compound ID 3nvJHgA5gMM
InChI InChI=1S/C16H11F3N4O3/c17-16(18,19)8-3-1-4-9(7-8)20-15(26)21-11-6-2-5-10-12(11)14(25)23-22-13(10)24/h1-7H,(H,22,24)(H,23,25)(H2,20,21,26)
InChIKey CYFMHHOIAWSHDB-UHFFFAOYSA-N
Mol Weight 364.28 g/mol
Molecular Formula C16H11F3N4O3
Exact Mass 364.078325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrGcthkGNLp
Name 1-(1,4-Dioxo-1,2,3,4-tetrahydro-phthalazin-5-yl)-3-(3-trifluoromethyl-phenyl)-urea
Alternate Name(s) 1-(1,4-diketo-2,3-dihydrophthalazin-5-yl)-3-[3-(trifluoromethyl)phenyl]urea 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-[3-(trifluoromethyl)phenyl]urea 1-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-[3-(trifluoromethyl)phenyl]urea N-(1,4-Dioxo-1,2,3,4-tetrahydro-5-phthalazinyl)-N'-[3-(trifluoromethyl)phenyl]urea
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Formula C16H11F3N4O3
InChI InChI=1S/C16H11F3N4O3/c17-16(18,19)8-3-1-4-9(7-8)20-15(26)21-11-6-2-5-10-12(11)14(25)23-22-13(10)24/h1-7H,(H,22,24)(H,23,25)(H2,20,21,26)
InChIKey CYFMHHOIAWSHDB-UHFFFAOYSA-N
Molecular Weight 364.284 g/mol
SMILES N1NC(c2c(C1=O)c(NC(Nc1cc(C(F)(F)F)ccc1)=O)ccc2)=O
SPLASH splash10-004i-2900000000-6b7b3b23c4c417a5b32f
Wiley ID 1457773