| SpectraBase Compound ID | 5V2f8VNivMH |
|---|---|
| InChI | InChI=1S/C13H18ClN3SSi/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 | KOFGBAJDOANICQ-UHFFFAOYSA-N |
| Mol Weight | 311.91 g/mol |
| Molecular Formula | C13H18ClN3SSi |
| Exact Mass | 311.067923 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C1HmyZNZcIN |
|---|---|
| Name | 5-(p-Chlorophenyl)-4-ethyl-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 | 311.067923001 u |
| Formula | C13H18ClN3SSi |
| InChI | InChI=1S/C13H18ClN3SSi/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 | KOFGBAJDOANICQ-UHFFFAOYSA-N |
| Molecular Weight | 311.906 g/mol |
| SMILES | C=1(S[Si](C)(C)C)N(C(=NN1)C1=CC=C(C=C1)Cl)CC |