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5-(2-Nitrophenoxy)methyl-2-amino-1,3,4-thiadiazoles
SpectraBase Compound ID 6YXagPSyEST
InChI InChI=1S/C9H8N4O3S/c10-9-12-11-8(17-9)5-16-7-4-2-1-3-6(7)13(14)15/h1-4H,5H2,(H2,10,12)
InChIKey CJQBEROFAHZUNI-UHFFFAOYSA-N
Mol Weight 252.25 g/mol
Molecular Formula C9H8N4O3S
Exact Mass 252.031711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BS11RYEAYZi
Name 5-(2-Nitrophenoxy)methyl-2-amino-1,3,4-thiadiazoles
Comments Less than 3 mono-isotopic peaks
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Formula C9H8N4O3S
InChI InChI=1S/C9H8N4O3S/c10-9-12-11-8(17-9)5-16-7-4-2-1-3-6(7)13(14)15/h1-4H,5H2,(H2,10,12)
InChIKey CJQBEROFAHZUNI-UHFFFAOYSA-N
Molecular Weight 252.248 g/mol
SMILES Nc1sc(nn1)COc1c(N(=O)=O)cccc1
SPLASH splash10-0udi-0090000000-c1d83433c94d68cf4534
Source of Spectrum G2-19-217-5j
Synonyms 5-[(2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-amine
Wiley ID 1705327