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4-oxidanidyl-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-4-ium
SpectraBase Compound ID CuW7a5SJNJU
InChI InChI=1S/C12H8N4OS/c17-16-8-10(11-5-3-7-18-11)14-15-12(16)9-4-1-2-6-13-9/h1-8H
InChIKey CWFNVROHGZLQQJ-UHFFFAOYSA-N
Mol Weight 256.28 g/mol
Molecular Formula C12H8N4OS
Exact Mass 256.041882 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FBk2YHkYSD
Name 4-oxidanidyl-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-4-ium
Alternate Name(s) 4-oxido-3-(2-pyridinyl)-6-thiophen-2-yl-1,2,4-triazin-4-ium 4-oxido-3-(2-pyridyl)-6-(2-thienyl)-1,2,4-triazin-4-ium 4-oxido-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-4-ium
Comments Less than 3 mono-isotopic peaks
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Formula C12H8N4OS
InChI InChI=1S/C12H8N4OS/c17-16-8-10(11-5-3-7-18-11)14-15-12(16)9-4-1-2-6-13-9/h1-8H
InChIKey CWFNVROHGZLQQJ-UHFFFAOYSA-N
Molecular Weight 256.283 g/mol
SMILES c1(nnc(c[n+]1[O-])-c1cccs1)-c1ccccn1
SPLASH splash10-00di-0930000000-cacff89ea21ed871e02b
Source of Spectrum F-68-2886-7
Wiley ID 1572216