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5-(4-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide, N-tms

View entire compound with spectra: 1 NMR

5-(4-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide, N-tms
SpectraBase Compound ID BwEy5qZKEa5
InChI InChI=1S/C17H18ClN3SSi/c1-23(2,3)21-17(22)20(15-7-5-4-6-8-15)16(19-21)13-9-11-14(18)12-10-13/h4-12H,1-3H3
InChIKey AYBLTIFUPIUGBA-UHFFFAOYSA-N
Mol Weight 359.95 g/mol
Molecular Formula C17H18ClN3SSi
Exact Mass 359.067923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8g8sDCbaIGR
Name 5-(4-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide, N-tms
Comments Computed using HOSE algorithm
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Exact Mass 359.067923001 u
Formula C17H18ClN3SSi
InChI InChI=1S/C17H18ClN3SSi/c1-23(2,3)21-17(22)20(15-7-5-4-6-8-15)16(19-21)13-9-11-14(18)12-10-13/h4-12H,1-3H3
InChIKey AYBLTIFUPIUGBA-UHFFFAOYSA-N
Molecular Weight 359.950 g/mol
SMILES C1(=S)N(C(C2=CC=C(C=C2)Cl)=NN1[Si](C)(C)C)C1=CC=CC=C1