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5-(4-Aminophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, tms derivative

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5-(4-Aminophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, tms derivative
SpectraBase Compound ID Mij3SEcJH1
InChI InChI=1S/C17H20N4SSi/c1-23(2,3)22-17-20-19-16(13-9-11-14(18)12-10-13)21(17)15-7-5-4-6-8-15/h4-12H,18H2,1-3H3
InChIKey ARHZVIQITKSKBX-UHFFFAOYSA-N
Mol Weight 340.52 g/mol
Molecular Formula C17H20N4SSi
Exact Mass 340.117794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FohQK9pIwnt
Name 5-(4-Aminophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 340.117794369 u
Formula C17H20N4SSi
InChI InChI=1S/C17H20N4SSi/c1-23(2,3)22-17-20-19-16(13-9-11-14(18)12-10-13)21(17)15-7-5-4-6-8-15/h4-12H,18H2,1-3H3
InChIKey ARHZVIQITKSKBX-UHFFFAOYSA-N
Molecular Weight 340.520 g/mol
SMILES C=1(S[Si](C)(C)C)N(C(=NN1)C1=CC=C(C=C1)N)C1=CC=CC=C1