| SpectraBase Compound ID | 8RWTjmEOCoJ |
|---|---|
| InChI | InChI=1S/C13H19N3SSi/c1-18(2,3)17-13-15-14-11-16(13)10-9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3 |
| InChIKey | WUOXQEFBTZRYCK-UHFFFAOYSA-N |
| Mol Weight | 277.46 g/mol |
| Molecular Formula | C13H19N3SSi |
| Exact Mass | 277.106895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQCaEsohhGZ |
|---|---|
| Name | 4-(2-Phenylethyl)-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 | 277.106895333 u |
| Formula | C13H19N3SSi |
| InChI | InChI=1S/C13H19N3SSi/c1-18(2,3)17-13-15-14-11-16(13)10-9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3 |
| InChIKey | WUOXQEFBTZRYCK-UHFFFAOYSA-N |
| SMILES | C=1(S[Si](C)(C)C)N(C=NN1)CCC1=CC=CC=C1 |