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4-Phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl hydrosulfide, tms derivative

View entire compound with spectra: 1 NMR

4-Phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl hydrosulfide, tms derivative
SpectraBase Compound ID GcpbWor0iW4
InChI InChI=1S/C19H23N3SSi/c1-24(2,3)23-19-21-20-18(15-14-16-10-6-4-7-11-16)22(19)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKey TVQUMHLEXLUXMG-UHFFFAOYSA-N
Mol Weight 353.56 g/mol
Molecular Formula C19H23N3SSi
Exact Mass 353.138195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbONYEfqBq0
Name 4-Phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl hydrosulfide, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 353.138195462 u
Formula C19H23N3SSi
InChI InChI=1S/C19H23N3SSi/c1-24(2,3)23-19-21-20-18(15-14-16-10-6-4-7-11-16)22(19)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKey TVQUMHLEXLUXMG-UHFFFAOYSA-N
Molecular Weight 353.559 g/mol
SMILES C=1(S[Si](C)(C)C)N(C(=NN1)CCC1=CC=CC=C1)C1=CC=CC=C1