![3-[(2-chloro-6-fluorobenzyl)thio]-4-methyl-5-[2-(2-thienyl)-4-thiazolyl]-4H-1,2,4-triazole](/api/spectrum/I9CGbDWVWte/structure.png?h=300&w=458 "3-[(2-chloro-6-fluorobenzyl)thio]-4-methyl-5-[2-(2-thienyl)-4-thiazolyl]-4H-1,2,4-triazole")
| SpectraBase Compound ID | H62FK1gzOlm |
|---|---|
| InChI | InChI=1S/C17H12ClFN4S3/c1-23-15(13-9-25-16(20-13)14-6-3-7-24-14)21-22-17(23)26-8-10-11(18)4-2-5-12(10)19/h2-7,9H,8H2,1H3 |
| InChIKey | UFLDDOVYKQCMSV-UHFFFAOYSA-N |
| Mol Weight | 422.94 g/mol |
| Molecular Formula | C17H12ClFN4S3 |
| Exact Mass | 421.989666 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I9CGbDWVWte |
|---|---|
| Name | 3-[(2-chloro-6-fluorobenzyl)thio]-4-methyl-5-[2-(2-thienyl)-4-thiazolyl]-4H-1,2,4-triazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H12ClFN4S3 |
| InChI | InChI=1S/C17H12ClFN4S3/c1-23-15(13-9-25-16(20-13)14-6-3-7-24-14)21-22-17(23)26-8-10-11(18)4-2-5-12(10)19/h2-7,9H,8H2,1H3 |
| InChIKey | UFLDDOVYKQCMSV-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 58436M |
| Solvent | CDCl3 |