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5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine, tms derivative
SpectraBase Compound ID HcDij6iws8l
InChI InChI=1S/C12H17N3OSi/c1-9-5-7-10(8-6-9)11-13-14-12(16-11)15-17(2,3)4/h5-8H,1-4H3,(H,14,15)
InChIKey LKCFRUQHISILFX-UHFFFAOYSA-N
Mol Weight 247.37 g/mol
Molecular Formula C12H17N3OSi
Exact Mass 247.114089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3G4qKouFUfq
Name 5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 247.114088713 u
Formula C12H17N3OSi
InChI InChI=1S/C12H17N3OSi/c1-9-5-7-10(8-6-9)11-13-14-12(16-11)15-17(2,3)4/h5-8H,1-4H3,(H,14,15)
InChIKey LKCFRUQHISILFX-UHFFFAOYSA-N
Molecular Weight 247.373 g/mol
SMILES C[Si](C)(C)NC1=NN=C(C=2C=CC(C)=CC2)O1