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6-Dicyanomethylene-4,7,8-trichlotoazulen-2-onee
SpectraBase Compound ID H04Nu1dE67b
InChI InChI=1S/C13H3Cl3N2O/c14-7-1-8(19)3-10-9(2-7)11(6(4-17)5-18)13(16)12(10)15/h1-3H
InChIKey JKYJHJQWAWATFU-UHFFFAOYSA-N
Mol Weight 309.54 g/mol
Molecular Formula C13H3Cl3N2O
Exact Mass 307.931096 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8e9ynSZ1vKQ
Name 6-Dicyanomethylene-4,7,8-trichlotoazulen-2-onee
Comments Less than 3 mono-isotopic peaks
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Formula C13H3Cl3N2O
InChI InChI=1S/C13H3Cl3N2O/c14-7-1-8(19)3-10-9(2-7)11(6(4-17)5-18)13(16)12(10)15/h1-3H
InChIKey JKYJHJQWAWATFU-UHFFFAOYSA-N
Molecular Weight 309.539 g/mol
SMILES C=12C(C(Cl)=C(C2=C(C#N)C#N)Cl)=CC(=O)C=C(C1)Cl
SPLASH splash10-08fr-0009000000-42b53f63adf9e0e4163f
Source of Spectrum C4-2000-1079-12
Wiley ID 1520000