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3-[3-(5-Amino-[1,3,4]thiadiazol-2-yl)-propyl]-3H-benzooxazol-2-one
SpectraBase Compound ID 4fZ5l65A0wk
InChI InChI=1S/C12H12N4O2S/c13-11-15-14-10(19-11)6-3-7-16-8-4-1-2-5-9(8)18-12(16)17/h1-2,4-5H,3,6-7H2,(H2,13,15)
InChIKey OCEPKMJMFYLDKL-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C12H12N4O2S
Exact Mass 276.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Q9i6VQJHwG
Name 3-[3-(5-Amino-[1,3,4]thiadiazol-2-yl)-propyl]-3H-benzooxazol-2-one
Alternate Name(s) 3-[3-(5-Amino-1,3,4-thiadiazol-2-yl)propyl]-1,3-benzoxazol-2(3H)-one 3-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1,3-benzoxazol-2-one 3-[3-(5-azanyl-1,3,4-thiadiazol-2-yl)propyl]-1,3-benzoxazol-2-one
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Formula C12H12N4O2S
InChI InChI=1S/C12H12N4O2S/c13-11-15-14-10(19-11)6-3-7-16-8-4-1-2-5-9(8)18-12(16)17/h1-2,4-5H,3,6-7H2,(H2,13,15)
InChIKey OCEPKMJMFYLDKL-UHFFFAOYSA-N
Molecular Weight 276.314 g/mol
SMILES Nc1sc(nn1)CCCN1C(Oc2ccccc12)=O
SPLASH splash10-014i-7900000000-19cb7c5ef8e9c4cb0963
Wiley ID 1464234