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4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]benzamide
SpectraBase Compound ID EiyFSK8llCZ
InChI InChI=1S/C22H15ClF2N4O2/c23-22(24,25)31-16-11-9-15(10-12-16)27-21-18-4-2-1-3-17(18)19(28-29-21)13-5-7-14(8-6-13)20(26)30/h1-12H,(H2,26,30)(H,27,29)
InChIKey GUSAPNPQBHFHSX-UHFFFAOYSA-N
Mol Weight 440.84 g/mol
Molecular Formula C22H15ClF2N4O2
Exact Mass 440.08516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CjpCQkxfzT
Name 4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]benzamide
Alternate Name(s) 4-[4-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]amino]phthalazin-1-yl]benzamide
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Formula C22H15ClF2N4O2
InChI InChI=1S/C22H15ClF2N4O2/c23-22(24,25)31-16-11-9-15(10-12-16)27-21-18-4-2-1-3-17(18)19(28-29-21)13-5-7-14(8-6-13)20(26)30/h1-12H,(H2,26,30)(H,27,29)
InChIKey GUSAPNPQBHFHSX-UHFFFAOYSA-N
Molecular Weight 440.838 g/mol
SMILES N(c1nnc(-c2ccc(C(=O)N)cc2)c2c1cccc2)c1ccc(OC(F)(F)Cl)cc1
SPLASH splash10-000f-9300000000-78f2337439f7449e9d9d
Wiley ID 1457899