![5-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-tetraazole](/api/spectrum/Im52g2hzkZs/structure.png?h=300&w=458 "5-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-tetraazole")
| SpectraBase Compound ID | 96ArSVnOSWv |
|---|---|
| InChI | InChI=1S/C14H10ClFN4S/c15-12-7-4-8-13(16)11(12)9-21-14-17-18-19-20(14)10-5-2-1-3-6-10/h1-8H,9H2 |
| InChIKey | ZAFBCXBJOMVJBE-UHFFFAOYSA-N |
| Mol Weight | 320.77 g/mol |
| Molecular Formula | C14H10ClFN4S |
| Exact Mass | 320.029873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Im52g2hzkZs |
|---|---|
| Name | 5-[(2-Chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-tetraazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.029873375 u |
| Formula | C14H10ClFN4S |
| InChI | InChI=1S/C14H10ClFN4S/c15-12-7-4-8-13(16)11(12)9-21-14-17-18-19-20(14)10-5-2-1-3-6-10/h1-8H,9H2 |
| InChIKey | ZAFBCXBJOMVJBE-UHFFFAOYSA-N |
| Molecular Weight | 320.773 g/mol |
| SMILES | C=1C=CC(N2C(=NN=N2)SCC=2C(F)=CC=CC2Cl)=CC1 |