| SpectraBase Compound ID | HxkXKhDfGnv |
|---|---|
| InChI | InChI=1S/C10H19N3S/c1-2-3-4-5-6-7-8-14-10-11-9-12-13-10/h9H,2-8H2,1H3,(H,11,12,13) |
| InChIKey | KFBKNAOPZZGVQT-UHFFFAOYSA-N |
| Mol Weight | 213.34 g/mol |
| Molecular Formula | C10H19N3S |
| Exact Mass | 213.129969 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBCI6qUlabd |
|---|---|
| Name | 5-(Octylthio)-1H-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.129968798 u |
| Formula | C10H19N3S |
| InChI | InChI=1S/C10H19N3S/c1-2-3-4-5-6-7-8-14-10-11-9-12-13-10/h9H,2-8H2,1H3,(H,11,12,13) |
| InChIKey | KFBKNAOPZZGVQT-UHFFFAOYSA-N |
| Molecular Weight | 213.343 g/mol |
| SMILES | CCCCCCCCSC1=NC=NN1 |