![[{2-carbamoyl-1-[(2-chloro-6-fluorobenzyl)thio]-2-cyanovinyl}thio}acetic acid](/api/spectrum/If6hcrXClf7/structure.png?h=300&w=458 "[{2-carbamoyl-1-[(2-chloro-6-fluorobenzyl)thio]-2-cyanovinyl}thio}acetic acid")
| SpectraBase Compound ID | 37zmt0cFiaR |
|---|---|
| InChI | InChI=1S/C13H10ClFN2O3S2/c14-9-2-1-3-10(15)8(9)5-21-13(22-6-11(18)19)7(4-16)12(17)20/h1-3H,5-6H2,(H2,17,20)(H,18,19) |
| InChIKey | PLOALGRSWQKBHO-UHFFFAOYSA-N |
| Mol Weight | 360.81 g/mol |
| Molecular Formula | C13H10ClFN2O3S2 |
| Exact Mass | 359.98054 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | If6hcrXClf7 |
|---|---|
| Name | [{2-carbamoyl-1-[(2-chloro-6-fluorobenzyl)thio]-2-cyanovinyl}thio}acetic acid |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H10ClFN2O3S2 |
| InChI | InChI=1S/C13H10ClFN2O3S2/c14-9-2-1-3-10(15)8(9)5-21-13(22-6-11(18)19)7(4-16)12(17)20/h1-3H,5-6H2,(H2,17,20)(H,18,19) |
| InChIKey | PLOALGRSWQKBHO-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46397M |
| Solvent | DMSO-d6 |