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5-Phenyl-4-propyl-4H-1,2,4-triazol-3-yl hydrosulfide, tms derivative
SpectraBase Compound ID E3vwLXEiVf6
InChI InChI=1S/C14H21N3SSi/c1-5-11-17-13(12-9-7-6-8-10-12)15-16-14(17)18-19(2,3)4/h6-10H,5,11H2,1-4H3
InChIKey YQMMGUMAHSGAPW-UHFFFAOYSA-N
Mol Weight 291.49 g/mol
Molecular Formula C14H21N3SSi
Exact Mass 291.122545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7nJypvLoLa
Name 5-Phenyl-4-propyl-4H-1,2,4-triazol-3-yl hydrosulfide, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 291.122545397 u
Formula C14H21N3SSi
InChI InChI=1S/C14H21N3SSi/c1-5-11-17-13(12-9-7-6-8-10-12)15-16-14(17)18-19(2,3)4/h6-10H,5,11H2,1-4H3
InChIKey YQMMGUMAHSGAPW-UHFFFAOYSA-N
SMILES C=1(S[Si](C)(C)C)N(C(=NN1)C1=CC=CC=C1)CCC