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(E)-2-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)-2-oxo-N-(p-tolyl)acetohydrazonoyl cyanide
SpectraBase Compound ID 7w7sYRSH0iR
InChI InChI=1S/C18H13N5O3/c1-11-6-8-12(9-7-11)20-21-15(10-19)18(26)23-17(25)14-5-3-2-4-13(14)16(24)22-23/h2-9,20H,1H3,(H,22,24)/b21-15+
InChIKey HWOJWGSHGPBTSS-RCCKNPSSSA-N
Mol Weight 347.33 g/mol
Molecular Formula C18H13N5O3
Exact Mass 347.101839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRDta9aEcoE
Name (E)-2-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)-2-oxo-N-(p-tolyl)acetohydrazonoyl cyanide
Appearance Yellow crystals
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Formula C18H13N5O3
InChI InChI=1S/C18H13N5O3/c1-11-6-8-12(9-7-11)20-21-15(10-19)18(26)23-17(25)14-5-3-2-4-13(14)16(24)22-23/h2-9,20H,1H3,(H,22,24)/b21-15+
InChIKey HWOJWGSHGPBTSS-RCCKNPSSSA-N
Instrument Name MS-50 Kratos
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3463
Molecular Weight 347.334 g/mol
SMILES N1C(c2ccccc2C(N1C(\C(=N\Nc1ccc(cc1)C)C#N)=O)=O)=O
SPLASH splash10-0002-1629000000-0ae2049d6f00f5b99b39
Source of Spectrum Y-56-SM13-6b
Wiley ID 1859461