| SpectraBase Compound ID | ET6CgDKspWD |
|---|---|
| InChI | InChI=1S/C9H8FN3S/c10-8-3-1-7(2-4-8)5-14-9-11-6-12-13-9/h1-4,6H,5H2,(H,11,12,13) |
| InChIKey | XLRSDRUBTQOPEY-UHFFFAOYSA-N |
| Mol Weight | 209.24 g/mol |
| Molecular Formula | C9H8FN3S |
| Exact Mass | 209.042297 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7fEfJL9QYyO |
|---|---|
| Name | 4-Fluorobenzyl 1H-1,2,4-triazol-3-yl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.042296607 u |
| Formula | C9H8FN3S |
| InChI | InChI=1S/C9H8FN3S/c10-8-3-1-7(2-4-8)5-14-9-11-6-12-13-9/h1-4,6H,5H2,(H,11,12,13) |
| InChIKey | XLRSDRUBTQOPEY-UHFFFAOYSA-N |
| Molecular Weight | 209.242 g/mol |
| SMILES | C1(=NNC=N1)SCC1=CC=C(C=C1)F |