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N-[(5E)-5-[(6-chloranylpyridazin-3-yl)hydrazinylidene]-7,7-dimethyl-2-oxidanylidene-6,8-dihydrochromen-3-yl]benzamide
SpectraBase Compound ID 62GLx0M7tBA
InChI InChI=1S/C22H20ClN5O3/c1-22(2)11-16(25-27-19-9-8-18(23)26-28-19)14-10-15(21(30)31-17(14)12-22)24-20(29)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,24,29)(H,27,28)/b25-16+
InChIKey LIWILLMDGAUUJJ-PCLIKHOPSA-N
Mol Weight 437.89 g/mol
Molecular Formula C22H20ClN5O3
Exact Mass 437.125467 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BbcGLVqZOc
Name N-[(5E)-5-[(6-chloranylpyridazin-3-yl)hydrazinylidene]-7,7-dimethyl-2-oxidanylidene-6,8-dihydrochromen-3-yl]benzamide
Alternate Name(s) N-[(5E)-5-[(6-chloro-3-pyridazinyl)hydrazinylidene]-7,7-dimethyl-2-oxo-6,8-dihydro-1-benzopyran-3-yl]benzamide N-[(5E)-5-[(6-chloropyridazin-3-yl)hydrazinylidene]-7,7-dimethyl-2-oxo-6,8-dihydrochromen-3-yl]benzamide N-[(5E)-5-[(6-chloropyridazin-3-yl)hydrazono]-2-keto-7,7-dimethyl-6,8-dihydrochromen-3-yl]benzamide N-[(5E)-5-[(6-chloropyridazin-3-yl)hydrazono]-7,7-dimethyl-2-oxo-6,8-dihydrochromen-3-yl]benzamide
Comments Less than 3 mono-isotopic peaks
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Formula C22H20ClN5O3
InChI InChI=1S/C22H20ClN5O3/c1-22(2)11-16(25-27-19-9-8-18(23)26-28-19)14-10-15(21(30)31-17(14)12-22)24-20(29)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,24,29)(H,27,28)/b25-16+
InChIKey LIWILLMDGAUUJJ-PCLIKHOPSA-N
Molecular Weight 437.887 g/mol
SMILES N(C=1C(OC2=C(\C(=N\Nc3nnc(cc3)Cl)CC(C2)(C)C)C1)=O)C(=O)c1ccccc1
SPLASH splash10-0a4r-0900600000-d416813384245dd7e115
Source of Spectrum F-53-1388-9
Wiley ID 800332