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5-(1-Naphthyl)-1,3,4-oxadiazole-2-thiol
SpectraBase Compound ID G9RMRrZGVpF
InChI InChI=1S/C12H8N2OS/c16-12-14-13-11(15-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,14,16)
InChIKey QPQZHFCLUMQFBO-UHFFFAOYSA-N
Mol Weight 228.27 g/mol
Molecular Formula C12H8N2OS
Exact Mass 228.035734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyXaqFZ7BVO
Name 5-(1-Naphthyl)-1,3,4-oxadiazole-2-thiol
Comments Computed using HOSE algorithm
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Exact Mass 228.035734059 u
Formula C12H8N2OS
InChI InChI=1S/C12H8N2OS/c16-12-14-13-11(15-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,14,16)
InChIKey QPQZHFCLUMQFBO-UHFFFAOYSA-N
Molecular Weight 228.269 g/mol
SMILES C1(S)=NN=C(O1)C1=C2C(=CC=C1)C=CC=C2