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5-Amino-3-(methylthio)-1-phenyl-4-pyrazolecarbonitrile, 2tms derivative

View entire compound with spectra: 1 NMR

5-Amino-3-(methylthio)-1-phenyl-4-pyrazolecarbonitrile, 2tms derivative
SpectraBase Compound ID 9rsGsYzbVDP
InChI InChI=1S/C17H26N4SSi2/c1-22-16-15(13-18)17(21(23(2,3)4)24(5,6)7)20(19-16)14-11-9-8-10-12-14/h8-12H,1-7H3
InChIKey RMOJAHKRPJNVPT-UHFFFAOYSA-N
Mol Weight 374.65 g/mol
Molecular Formula C17H26N4SSi2
Exact Mass 374.141671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4iWuFCTyoN3
Name 5-Amino-3-(methylthio)-1-phenyl-4-pyrazolecarbonitrile, 2tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 374.141671097 u
Formula C17H26N4SSi2
InChI InChI=1S/C17H26N4SSi2/c1-22-16-15(13-18)17(21(23(2,3)4)24(5,6)7)20(19-16)14-11-9-8-10-12-14/h8-12H,1-7H3
InChIKey RMOJAHKRPJNVPT-UHFFFAOYSA-N
Molecular Weight 374.653 g/mol
SMILES CSC1=NN(C(=C1C#N)N([Si](C)(C)C)[Si](C)(C)C)C1=CC=CC=C1