| SpectraBase Compound ID | F8jrOuYVqNK |
|---|---|
| InChI | InChI=1S/C12H16FN3SSi/c1-16-11(9-5-7-10(13)8-6-9)14-15-12(16)17-18(2,3)4/h5-8H,1-4H3 |
| InChIKey | AWOMLDCRVQQDFX-UHFFFAOYSA-N |
| Mol Weight | 281.42 g/mol |
| Molecular Formula | C12H16FN3SSi |
| Exact Mass | 281.081823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FLtGH86lW6o |
|---|---|
| Name | 5-(4-Fluorophenyl)-4-methyl-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 | 281.081823399 u |
| Formula | C12H16FN3SSi |
| InChI | InChI=1S/C12H16FN3SSi/c1-16-11(9-5-7-10(13)8-6-9)14-15-12(16)17-18(2,3)4/h5-8H,1-4H3 |
| InChIKey | AWOMLDCRVQQDFX-UHFFFAOYSA-N |
| Molecular Weight | 281.424 g/mol |
| SMILES | C1(F)=CC=C(C=C1)C=1N(C(=NN1)S[Si](C)(C)C)C |