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5-((2,6-Dimethylphenoxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, tms derivative

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5-((2,6-Dimethylphenoxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, tms derivative
SpectraBase Compound ID 7JifRMsaBlg
InChI InChI=1S/C20H25N3OSSi/c1-15-10-9-11-16(2)19(15)24-14-18-21-22-20(25-26(3,4)5)23(18)17-12-7-6-8-13-17/h6-13H,14H2,1-5H3
InChIKey WKQOKXSTCLWLRD-UHFFFAOYSA-N
Mol Weight 383.59 g/mol
Molecular Formula C20H25N3OSSi
Exact Mass 383.14876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8NHuG1pvEcQ
Name 5-((2,6-Dimethylphenoxy)methyl)-4-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 383.148760145 u
Formula C20H25N3OSSi
InChI InChI=1S/C20H25N3OSSi/c1-15-10-9-11-16(2)19(15)24-14-18-21-22-20(25-26(3,4)5)23(18)17-12-7-6-8-13-17/h6-13H,14H2,1-5H3
InChIKey WKQOKXSTCLWLRD-UHFFFAOYSA-N
Molecular Weight 383.585 g/mol
SMILES C=1(S[Si](C)(C)C)N(C(=NN1)COC1=C(C=CC=C1C)C)C1=CC=CC=C1