| SpectraBase Compound ID | Cpd8GvFIK53 |
|---|---|
| InChI | InChI=1S/C13H18FN3SSi/c1-5-17-12(10-6-8-11(14)9-7-10)15-16-13(17)18-19(2,3)4/h6-9H,5H2,1-4H3 |
| InChIKey | QUFGEKKQCJYAFM-UHFFFAOYSA-N |
| Mol Weight | 295.45 g/mol |
| Molecular Formula | C13H18FN3SSi |
| Exact Mass | 295.097473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3zpvK8jNzXR |
|---|---|
| Name | 4-Ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.097473464 u |
| Formula | C13H18FN3SSi |
| InChI | InChI=1S/C13H18FN3SSi/c1-5-17-12(10-6-8-11(14)9-7-10)15-16-13(17)18-19(2,3)4/h6-9H,5H2,1-4H3 |
| InChIKey | QUFGEKKQCJYAFM-UHFFFAOYSA-N |
| Molecular Weight | 295.451 g/mol |
| SMILES | C1(F)=CC=C(C=C1)C=1N(C(=NN1)S[Si](C)(C)C)CC |