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4-Cyclohexyl-5-phenyl-4H-1,2,4-triazole-3-thiol, tms derivative

View entire compound with spectra: 1 NMR

4-Cyclohexyl-5-phenyl-4H-1,2,4-triazole-3-thiol, tms derivative
SpectraBase Compound ID EtU8SFpwm3j
InChI InChI=1S/C17H25N3SSi/c1-22(2,3)21-17-19-18-16(14-10-6-4-7-11-14)20(17)15-12-8-5-9-13-15/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3
InChIKey QUYBKIWLGLSSES-UHFFFAOYSA-N
Mol Weight 331.55 g/mol
Molecular Formula C17H25N3SSi
Exact Mass 331.153846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5iqeS6MF6D
Name 4-Cyclohexyl-5-phenyl-4H-1,2,4-triazole-3-thiol, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.153845526 u
Formula C17H25N3SSi
InChI InChI=1S/C17H25N3SSi/c1-22(2,3)21-17-19-18-16(14-10-6-4-7-11-14)20(17)15-12-8-5-9-13-15/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3
InChIKey QUYBKIWLGLSSES-UHFFFAOYSA-N
Molecular Weight 331.553 g/mol
SMILES C=1(S[Si](C)(C)C)N(C(=NN1)C1=CC=CC=C1)C1CCCCC1