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5-(2-Chlorophenoxy)methyl-2-amino-1,3,4-thiadiazoles
SpectraBase Compound ID 2zO70n6QmDi
InChI InChI=1S/C9H8ClN3OS/c10-6-3-1-2-4-7(6)14-5-8-12-13-9(11)15-8/h1-4H,5H2,(H2,11,13)
InChIKey NQLYOHVQLYTUDV-UHFFFAOYSA-N
Mol Weight 241.7 g/mol
Molecular Formula C9H8ClN3OS
Exact Mass 241.007661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8oyy0CadpP
Name 5-(2-Chlorophenoxy)methyl-2-amino-1,3,4-thiadiazoles
Alternate Name(s) 5-[(2-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine 5-[(2-chloranylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
Comments Less than 3 mono-isotopic peaks
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Formula C9H8ClN3OS
InChI InChI=1S/C9H8ClN3OS/c10-6-3-1-2-4-7(6)14-5-8-12-13-9(11)15-8/h1-4H,5H2,(H2,11,13)
InChIKey NQLYOHVQLYTUDV-UHFFFAOYSA-N
Molecular Weight 241.696 g/mol
SMILES Nc1sc(nn1)COc1c(Cl)cccc1
SPLASH splash10-0006-0090000000-ae624a7deb8a784b630b
Source of Spectrum G2-19-217-5e
Wiley ID 1705332