![4-tert-butyl-3-[(2-chloro-6-fluorobenzyl)thio]-4H-1,2,4-triazole](/api/spectrum/B1qYW1h5iMy/structure.png?h=300&w=458 "4-tert-butyl-3-[(2-chloro-6-fluorobenzyl)thio]-4H-1,2,4-triazole")
| SpectraBase Compound ID | KVk5XEQQ7xn |
|---|---|
| InChI | InChI=1S/C13H15ClFN3S/c1-13(2,3)18-8-16-17-12(18)19-7-9-10(14)5-4-6-11(9)15/h4-6,8H,7H2,1-3H3 |
| InChIKey | YXFYQXHBANFHSM-UHFFFAOYSA-N |
| Mol Weight | 299.8 g/mol |
| Molecular Formula | C13H15ClFN3S |
| Exact Mass | 299.065925 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B1qYW1h5iMy |
|---|---|
| Name | 4-tert-butyl-3-[(2-chloro-6-fluorobenzyl)thio]-4H-1,2,4-triazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H15ClFN3S |
| InChI | InChI=1S/C13H15ClFN3S/c1-13(2,3)18-8-16-17-12(18)19-7-9-10(14)5-4-6-11(9)15/h4-6,8H,7H2,1-3H3 |
| InChIKey | YXFYQXHBANFHSM-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46422M |
| Solvent | CDCl3 |