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

View entire compound with spectra: 1 NMR

5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, tms derivative
SpectraBase Compound ID DGOEbQv2Wi3
InChI InChI=1S/C18H21N3OSSi/c1-24(2,3)23-18-20-19-17(14-22-16-12-8-5-9-13-16)21(18)15-10-6-4-7-11-15/h4-13H,14H2,1-3H3
InChIKey SOKBLOKHMWZGEB-UHFFFAOYSA-N
Mol Weight 355.53 g/mol
Molecular Formula C18H21N3OSSi
Exact Mass 355.11746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2txIA1TgVWp
Name 5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 355.117460016 u
Formula C18H21N3OSSi
InChI InChI=1S/C18H21N3OSSi/c1-24(2,3)23-18-20-19-17(14-22-16-12-8-5-9-13-16)21(18)15-10-6-4-7-11-15/h4-13H,14H2,1-3H3
InChIKey SOKBLOKHMWZGEB-UHFFFAOYSA-N
Molecular Weight 355.531 g/mol
SMILES C=1(S[Si](C)(C)C)N(C(=NN1)COC1=CC=CC=C1)C1=CC=CC=C1