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Ethyl 4-chlorodimethylaminomethylenamino-3-cyanopyrazolo[5,1-c][1,2,4]triazine-8-carboxylate
SpectraBase Compound ID 9OCxx0qcd37
InChI InChI=1S/C12H12ClN7O2/c1-4-22-11(21)7-6-15-20-9(7)18-17-8(5-14)10(20)16-12(13)19(2)3/h6H,4H2,1-3H3/b16-12+
InChIKey VDCBOMJLEQUIPS-FOWTUZBSSA-N
Mol Weight 321.73 g/mol
Molecular Formula C12H12ClN7O2
Exact Mass 321.0741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FvMO53IrWT0
Name Ethyl 4-chlorodimethylaminomethylenamino-3-cyanopyrazolo[5,1-c][1,2,4]triazine-8-carboxylate
Alternate Name(s) ethyl 4-{[(Z)-chloro(dimethylamino)methylidene]amino}-3-cyanopyrazolo[5,1-c][1,2,4]triazine-8-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C12H12ClN7O2
InChI InChI=1S/C12H12ClN7O2/c1-4-22-11(21)7-6-15-20-9(7)18-17-8(5-14)10(20)16-12(13)19(2)3/h6H,4H2,1-3H3/b16-12+
InChIKey VDCBOMJLEQUIPS-FOWTUZBSSA-N
Molecular Weight 321.728 g/mol
SMILES c12[n](ncc2C(=O)OCC)C(=C(N=N1)C#N)\N=C\(N(C)C)Cl
SPLASH splash10-0002-0091000000-500f6a06cfaecad763fb
Source of Spectrum F-52-3044-7
Wiley ID 795381