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5-(2-Bromophenoxy)methyl-2-amino-1,3,4-thiadiazoles
SpectraBase Compound ID SNval3XL3y
InChI InChI=1S/C9H8BrN3OS/c10-6-3-1-2-4-7(6)14-5-8-12-13-9(11)15-8/h1-4H,5H2,(H2,11,13)
InChIKey LQMXRQVUAVTSBH-UHFFFAOYSA-N
Mol Weight 286.15 g/mol
Molecular Formula C9H8BrN3OS
Exact Mass 284.957146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JN0YyfyaZ28
Name 5-(2-Bromophenoxy)methyl-2-amino-1,3,4-thiadiazoles
Alternate Name(s) 5-[(2-bromophenoxy)methyl]-1,3,4-thiadiazol-2-amine 5-[(2-bromanylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
Comments Less than 3 mono-isotopic peaks
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Formula C9H8BrN3OS
InChI InChI=1S/C9H8BrN3OS/c10-6-3-1-2-4-7(6)14-5-8-12-13-9(11)15-8/h1-4H,5H2,(H2,11,13)
InChIKey LQMXRQVUAVTSBH-UHFFFAOYSA-N
Molecular Weight 286.147 g/mol
SMILES Nc1sc(nn1)COc1c(Br)cccc1
SPLASH splash10-000i-0090000000-a4cc98da41c069b7382c
Source of Spectrum G2-19-217-5c
Wiley ID 1705333