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ethanone, 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-(2-thienyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

ethanone, 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-(2-thienyl)-
SpectraBase Compound ID 8wIA7bWAixA
InChI InChI=1S/C8H6N4O3S/c13-6(7-2-1-3-16-7)4-11-5-9-8(10-11)12(14)15/h1-3,5H,4H2
InChIKey GFXFAGAEKYLMNV-UHFFFAOYSA-N
Mol Weight 238.22 g/mol
Molecular Formula C8H6N4O3S
Exact Mass 238.016061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BdHIXKPiCR
Name 2-(3-nitro-1,2,4-triazol-1-yl)-1-(2-thienyl)ethanone
Alternate Name(s) 2-(3-nitro-1,2,4-triazol-1-yl)-1-thiophen-2-yl-ethanone Ethanone, 2-(3-nitro-[1,2,4]triazol-1-yl)-1-thiophen-2-yl-
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Formula C8H6N4O3S
InChI InChI=1S/C8H6N4O3S/c13-6(7-2-1-3-16-7)4-11-5-9-8(10-11)12(14)15/h1-3,5H,4H2
InChIKey GFXFAGAEKYLMNV-UHFFFAOYSA-N
Molecular Weight 238.221 g/mol
SMILES c1(nc[n](n1)CC(c1sccc1)=O)N(=O)=O
SPLASH splash10-03di-5900000000-ac07a7db6bd65b2a90ab
Wiley ID 1439715