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2-[3-(Methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]ethanol, tms derivative

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2-[3-(Methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]ethanol, tms derivative
SpectraBase Compound ID 9JEQVKzBRNi
InChI InChI=1S/C14H21N3OSSi/c1-19-14-16-15-13(12-8-6-5-7-9-12)17(14)10-11-18-20(2,3)4/h5-9H,10-11H2,1-4H3
InChIKey VCSHUOFXGOGSLH-UHFFFAOYSA-N
Mol Weight 307.49 g/mol
Molecular Formula C14H21N3OSSi
Exact Mass 307.11746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21wJ8jp257b
Name 2-[3-(Methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]ethanol, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 307.117460016 u
Formula C14H21N3OSSi
InChI InChI=1S/C14H21N3OSSi/c1-19-14-16-15-13(12-8-6-5-7-9-12)17(14)10-11-18-20(2,3)4/h5-9H,10-11H2,1-4H3
InChIKey VCSHUOFXGOGSLH-UHFFFAOYSA-N
Molecular Weight 307.487 g/mol
SMILES CSC=1N(C(=NN1)C1=CC=CC=C1)CCO[Si](C)(C)C