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(Z,Z)-3-(Dimethylamino)-2-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)(hydroxyimino)methyl)acrylonitrile
SpectraBase Compound ID KhD9wBfPG9Q
InChI InChI=1S/C14H13N5O3/c1-18(2)8-9(7-15)12(17-22)19-14(21)11-6-4-3-5-10(11)13(20)16-19/h3-6,8,22H,1-2H3,(H,16,20)/b9-8-,17-12-
InChIKey RLXWGDDTWMZYMI-SQBXRVKUSA-N
Mol Weight 299.29 g/mol
Molecular Formula C14H13N5O3
Exact Mass 299.101839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDJ6MLo0eyA
Name (Z,Z)-3-(Dimethylamino)-2-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)(hydroxyimino)methyl)acrylonitrile
Appearance Colorless crystals
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Formula C14H13N5O3
InChI InChI=1S/C14H13N5O3/c1-18(2)8-9(7-15)12(17-22)19-14(21)11-6-4-3-5-10(11)13(20)16-19/h3-6,8,22H,1-2H3,(H,16,20)/b9-8-,17-12-
InChIKey RLXWGDDTWMZYMI-SQBXRVKUSA-N
Instrument Name MS-50 Kratos
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3463
Molecular Weight 299.290 g/mol
SMILES N1C(c2c(C(N1\C(=N/O)\C(C#N)=C/N(C)C)=O)cccc2)=O
SPLASH splash10-0irr-6940000000-bcad8d4a47e147358ba5
Source of Spectrum Y-56-SM40-17
Wiley ID 1859458